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-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C798-0646 |
| 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-(2,3-dimethylphenyl)acetamide |
| Molecular Weight: | 567.1 |
| Molecular Formula: | C28 H24 Cl F N4 O2 S2 |
| Smiles: | Cc1cccc(c1C)NC(CSC1=Nc2c3c4CCCCc4sc3[nH]c2C(N1c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4697 |
| logD: | 6.4696 |
| logSw: | -6.3059 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.88 |
| InChI Key: | FSGIAFJVFABPND-UHFFFAOYSA-N |