2-{[3-(3-chloro-4-fluorophenyl)-4-oxo-4,5,7,8,9,10-hexahydro-3H-[1]benzothieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(3-chloro-4-fluorophenyl)-4-oxo-4,5,7,8,9,10-hexahydro-3H-[1]benzothieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
2-{[3-(3-chloro-4-fluorophenyl)-4-oxo-4,5,7,8,9,10-hexahydro-3H-[1]benzothieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C798-0632 |
| Compound Name: | 2-{[3-(3-chloro-4-fluorophenyl)-4-oxo-4,5,7,8,9,10-hexahydro-3H-[1]benzothieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 571.07 |
| Molecular Formula: | C27 H21 Cl F2 N4 O2 S2 |
| Smiles: | Cc1ccc(cc1F)NC(CSC1=Nc2c3c4CCCCc4sc3[nH]c2C(N1c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4889 |
| logD: | 6.4888 |
| logSw: | -6.3176 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.577 |
| InChI Key: | HXOMSWALRUXMRH-UHFFFAOYSA-N |