1-(4-chlorobenzoyl)-3-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]azepan-2-one
Chemical Structure Depiction of
1-(4-chlorobenzoyl)-3-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]azepan-2-one
1-(4-chlorobenzoyl)-3-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]azepan-2-one
Compound characteristics
| Compound ID: | 5067-0735 |
| Compound Name: | 1-(4-chlorobenzoyl)-3-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]azepan-2-one |
| Molecular Weight: | 486.05 |
| Molecular Formula: | C24 H24 Cl N3 O2 S2 |
| Smiles: | Cc1nc(c2c3CCCCc3sc2n1)SC1CCCCN(C1=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8245 |
| logD: | 5.8244 |
| logSw: | -6.0183 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.007 |
| InChI Key: | NUDJRBRSVDIGSZ-IBGZPJMESA-N |