N-(adamantan-1-yl)-2-[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-2-[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
N-(adamantan-1-yl)-2-[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 4112-4321 |
| Compound Name: | N-(adamantan-1-yl)-2-[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 519.73 |
| Molecular Formula: | C29 H33 N3 O2 S2 |
| Smiles: | CC1CCc2c3C(N(C(=Nc3sc2C1)SCC(NC12CC3CC(CC(C3)C2)C1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1674 |
| logD: | 6.1674 |
| logSw: | -5.6364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.15 |
| InChI Key: | XHCSGYHVOATBNJ-KVXAFKILSA-N |