7-Acetamido-3,4-dihydro-2H-1,5-benzodioxepine - CAS 33631-94-6
Catalog: |
BB021806 |
Product Name: |
7-Acetamido-3,4-dihydro-2H-1,5-benzodioxepine |
CAS: |
33631-94-6 |
Synonyms: |
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide; N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide |
IUPAC Name: | N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide |
Description: | 7-Acetamido-3,4-dihydro-2H-1,5-benzodioxepine (CAS# 33631-94-6 ) is a useful research chemical. |
Molecular Weight: | 207.23 |
Molecular Formula: | C11H13NO3 |
Canonical SMILES: | CC(=O)NC1=CC2=C(C=C1)OCCCO2 |
InChI: | InChI=1S/C11H13NO3/c1-8(13)12-9-3-4-10-11(7-9)15-6-2-5-14-10/h3-4,7H,2,5-6H2,1H3,(H,12,13) |
InChI Key: | KPGDKBKPYMKDAO-UHFFFAOYSA-N |
Boiling Point: | 392 ℃ at 760 mmHg |
Density: | 1.224 g/cm3 |
LogP: | 2.45580 |
Publication Number | Title | Priority Date |
US-2017355705-A1 | Substituted bridged urea analogs as sirtuin modulators | 20141119 |
US-2017362234-A1 | Substituted bridged urea analogs as sirtuin modulators | 20141119 |
WO-2016079709-A1 | Substituted bridged urea analogs as sirtuin modulators | 20141119 |
WO-2016079712-A1 | Substituted bridged urea analogs as sirtuin modulators | 20141119 |
US-2010113330-A1 | Tetrahydropyrido[4,3-d]pyrimidinone derivatives and methods of use thereof | 20070420 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.08954328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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