7-[(4-chlorophenyl)methyl]-2-(dimethylamino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-2-(dimethylamino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(4-chlorophenyl)methyl]-2-(dimethylamino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-1662 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-2-(dimethylamino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 332.83 |
| Molecular Formula: | C17 H21 Cl N4 O |
| Smiles: | CN(C)C1NC(C2CCN(CCC=2N=1)Cc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9982 |
| logD: | 1.7744 |
| logSw: | -2.9572 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.151 |
| InChI Key: | JMFHAXCRYOHNEE-UHFFFAOYSA-N |