3-(7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-[(3-chloro-4-fluorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-(7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-[(3-chloro-4-fluorophenyl)methyl]propanamide
3-(7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-[(3-chloro-4-fluorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | F145-0881 |
| Compound Name: | 3-(7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-[(3-chloro-4-fluorophenyl)methyl]propanamide |
| Molecular Weight: | 476.01 |
| Molecular Formula: | C24 H27 Cl F N3 O2 S |
| Smiles: | CC(C)(C)C1CCc2c3C(NC(CCC(NCc4ccc(c(c4)[Cl])F)=O)=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.078 |
| logD: | 5.0774 |
| logSw: | -5.7264 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.195 |
| InChI Key: | DCDVACXNQLPMIV-CQSZACIVSA-N |