N-[(3-methylphenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-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-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
N-[(3-methylphenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
Compound characteristics
| Compound ID: | S529-0702 |
| Compound Name: | N-[(3-methylphenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C23 H23 N5 O2 |
| Smiles: | Cc1cccc(CNC(CN2CCCc3c(cnc(c4ccncc4)n3)C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.2751 |
| logD: | 2.2749 |
| logSw: | -2.6967 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.138 |
| InChI Key: | BUWPHZIDHYUQCK-UHFFFAOYSA-N |