N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide - CAS 730950-29-5
Catalog: |
BB034761 |
Product Name: |
N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide |
CAS: |
730950-29-5 |
Synonyms: |
N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-chloro-N-(3-methoxypropyl)acetamide; N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide |
IUPAC Name: | N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide |
Description: | N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide (CAS# 730950-29-5 ) is a useful research chemical. |
Molecular Weight: | 380.829 |
Molecular Formula: | C17H21ClN4O4 |
Canonical SMILES: | COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCl |
InChI: | InChI=1S/C17H21ClN4O4/c1-26-9-5-8-21(13(23)10-18)14-15(19)22(17(25)20-16(14)24)11-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,19H2,1H3,(H,20,24,25) |
InChI Key: | LLJXFNYPLBSFNK-UHFFFAOYSA-N |
Complexity: | 575 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 380.1251329 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 380.1251329 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 105 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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