N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4112-4099 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 513.99 |
| Molecular Formula: | C22 H19 Cl F3 N3 O2 S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9869 |
| logD: | 5.9706 |
| logSw: | -6.463 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.993 |
| InChI Key: | NXAGSIOHXVRSIR-UHFFFAOYSA-N |