5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide
5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0693 |
| Compound Name: | 5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide |
| Molecular Weight: | 491 |
| Molecular Formula: | C22 H20 Cl F N4 O2 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccccc1F)[Cl])=O)c1c(C(NC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0353 |
| logD: | 1.7214 |
| logSw: | -5.3724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.194 |
| InChI Key: | QAXFKRLDAGBHIJ-UHFFFAOYSA-N |