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Methyl 1,4-Dibenzyl-1,4-diazepane-2-carboxylate

Methyl 1,4-Dibenzyl-1,4-diazepane-2-carboxylate - CAS 220364-78-3

Name: Methyl 1,4-Dibenzyl-1,4-diazepane-2-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017310
Product Name:	Methyl 1,4-Dibenzyl-1,4-diazepane-2-carboxylate
CAS:	220364-78-3
Synonyms:	1,4-bis(phenylmethyl)-1,4-diazepane-2-carboxylic acid methyl ester; methyl 1,4-dibenzyl-1,4-diazepane-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 1,4-dibenzyl-1,4-diazepane-2-carboxylate
Description:	Methyl 1,4-Dibenzyl-1,4-diazepane-2-carboxylate (CAS# 220364-78-3 ) is a useful research chemical.
Molecular Weight:	338.44
Molecular Formula:	C21H26N2O2
Canonical SMILES:	COC(=O)C1CN(CCCN1CC2=CC=CC=C2)CC3=CC=CC=C3
InChI:	InChI=1S/C21H26N2O2/c1-25-21(24)20-17-22(15-18-9-4-2-5-10-18)13-8-14-23(20)16-19-11-6-3-7-12-19/h2-7,9-12,20H,8,13-17H2,1H3
InChI Key:	FPLKLNINPXCYAO-UHFFFAOYSA-N
LogP:	2.81190

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Publication Number	Title	Priority Date
AU-2001268958-B2	Heterocyclic compounds, which are inhibitors of the enzyme dpp-iv	20000704
CA-2411864-A1	Purine-2,6-diones which are inhibitors of the enzyme dipeptidyl peptidase iv (dpp-iv)	20000704
CZ-200319-A3	Heterocyclic compounds that are DPP-IV inhibitors	20000704
DE-60111849-T2	PURIN-2,6-DIONE AS INHIBITORS OF ENZYME DIPEPTIDYL-PEPTIDASE IV (DPP-IV)	20000704
EP-1301187-A2	Heterocyclic compounds, which are inhibitors of the enzyme dpp-iv	20000704

Complexity:	403
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	338.199428076
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	338.199428076
Rotatable Bond Count:	6
Topological Polar Surface Area:	32.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4