2-(4-methylpiperazin-1-yl)-7-[(pyridin-3-yl)methyl]-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-[(pyridin-3-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(4-methylpiperazin-1-yl)-7-[(pyridin-3-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-2509 |
| Compound Name: | 2-(4-methylpiperazin-1-yl)-7-[(pyridin-3-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C19 H26 N6 O |
| Smiles: | CN1CCN(CC1)C1NC(C2CCN(CCC=2N=1)Cc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0246 |
| logD: | -1.1951 |
| logSw: | -1.23 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.794 |
| InChI Key: | MEPDBOQEXLNYQV-UHFFFAOYSA-N |