7-[(2-chloro-4-fluorophenyl)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-chloro-4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(2-chloro-4-fluorophenyl)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: | S039-3696 |
| Compound Name: | 7-[(2-chloro-4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 405.9 |
| Molecular Formula: | C20 H25 Cl F N5 O |
| Smiles: | CN1CCN(CC1)C1NC(C2CCN(CCC=2N=1)Cc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2166 |
| logD: | 0.9969 |
| logSw: | -3.2984 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.276 |
| InChI Key: | GJCDSONDNLLSMS-UHFFFAOYSA-N |