N-[(3-ethoxyphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Chemical Structure Depiction of
N-[(3-ethoxyphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-[(3-ethoxyphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
Compound ID: | S529-0645 |
Compound Name: | N-[(3-ethoxyphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
Molecular Weight: | 430.51 |
Molecular Formula: | C25 H26 N4 O3 |
Smiles: | CCOc1cccc(CNC(CN2CCCc3c(cnc(c4ccccc4)n3)C2=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 3.2153 |
logD: | 3.2153 |
logSw: | -3.3388 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.834 |
InChI Key: | SLNYDTNSCOVNNM-UHFFFAOYSA-N |