N-[(3,5-dimethoxyphenyl)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-[(3,5-dimethoxyphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0589 |
| Compound Name: | N-[(3,5-dimethoxyphenyl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Smiles: | COc1cc(CNC(CN2CCCc3c(cnc(c4ccccc4)n3)C2=O)=O)cc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9806 |
| logD: | 2.9806 |
| logSw: | -3.385 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.798 |
| InChI Key: | KTRIUUIAGARFAC-UHFFFAOYSA-N |