N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8016-1952 |
| Compound Name: | N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 471.93 |
| Molecular Formula: | C19 H16 Cl F2 N3 O3 S2 |
| Smiles: | C1CCc2c(C1)c1C(NC(=Nc1s2)SCC(Nc1ccc(cc1)OC(F)(F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5773 |
| logD: | 4.5518 |
| logSw: | -5.1224 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.971 |
| InChI Key: | YTAPPEFOGCXMLS-UHFFFAOYSA-N |