N-[(3-methylphenyl)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-methylphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-[(3-methylphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0588 |
| Compound Name: | N-[(3-methylphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C24 H24 N4 O2 |
| Smiles: | Cc1cccc(CNC(CN2CCCc3c(cnc(c4ccccc4)n3)C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.419 |
| logD: | 3.419 |
| logSw: | -3.5443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.71 |
| InChI Key: | PNIQTJCEDYMTJL-UHFFFAOYSA-N |