2-(4-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-(4-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
2-(4-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8009-9843 |
| Compound Name: | 2-(4-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide |
| Molecular Weight: | 486.58 |
| Molecular Formula: | C21 H25 F3 N4 O2 S2 |
| Smiles: | Cc1cc(C(F)(F)F)nc(n1)SCCCC(Nc1c(C(N)=O)c2CCCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4792 |
| logD: | 3.0349 |
| logSw: | -3.9786 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.321 |
| InChI Key: | RELKXWNFMPUWPI-UHFFFAOYSA-N |