N-[(3-methoxyphenyl)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-methoxyphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-[(3-methoxyphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0617 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C24 H24 N4 O3 |
| Smiles: | COc1cccc(CNC(CN2CCCc3c(cnc(c4ccccc4)n3)C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8278 |
| logD: | 2.8278 |
| logSw: | -3.4031 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.254 |
| InChI Key: | WMEGQIHQWWFHKD-UHFFFAOYSA-N |