7-[(2-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-[(2-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(2-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-3680 |
| Compound Name: | 7-[(2-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C21 H29 N5 O |
| Smiles: | Cc1ccccc1CN1CCC2=C(CC1)N=C(NC2=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.1105 |
| logD: | 0.8908 |
| logSw: | -2.6333 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.276 |
| InChI Key: | BUFGTVPYGJFEDU-UHFFFAOYSA-N |