2-(4-methylpiperazin-1-yl)-7-[(thiophen-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-[(thiophen-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(4-methylpiperazin-1-yl)-7-[(thiophen-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-4029 |
| Compound Name: | 2-(4-methylpiperazin-1-yl)-7-[(thiophen-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 359.49 |
| Molecular Formula: | C18 H25 N5 O S |
| Smiles: | CN1CCN(CC1)C1NC(C2CCN(CCC=2N=1)Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1666 |
| logD: | -0.0532 |
| logSw: | -2.3157 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.294 |
| InChI Key: | PRGOEJCMRHRWNO-UHFFFAOYSA-N |