2-(4-methylpiperazin-1-yl)-7-[(3-methylthiophen-2-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-[(3-methylthiophen-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(4-methylpiperazin-1-yl)-7-[(3-methylthiophen-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-2404 |
| Compound Name: | 2-(4-methylpiperazin-1-yl)-7-[(3-methylthiophen-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 373.52 |
| Molecular Formula: | C19 H27 N5 O S |
| Smiles: | Cc1ccsc1CN1CCC2=C(CC1)N=C(NC2=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.6245 |
| logD: | 0.4048 |
| logSw: | -2.4946 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.294 |
| InChI Key: | QFZVHBKTTMWOKE-UHFFFAOYSA-N |