2-(4-methylpiperazin-1-yl)-7-(2-phenylethyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(4-methylpiperazin-1-yl)-7-(2-phenylethyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(4-methylpiperazin-1-yl)-7-(2-phenylethyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-2504 |
| Compound Name: | 2-(4-methylpiperazin-1-yl)-7-(2-phenylethyl)-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: | CN1CCN(CC1)C1NC(C2CCN(CCC=2N=1)CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5942 |
| logD: | 0.3745 |
| logSw: | -2.0035 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.254 |
| InChI Key: | VOGKQCUONUZABQ-UHFFFAOYSA-N |