2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 6466-0651 |
| Compound Name: | 2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 506.57 |
| Molecular Formula: | C23 H21 F3 N4 O2 S2 |
| Smiles: | CC(C(Nc1c(C(N)=O)c2CCCCc2s1)=O)Sc1nc(cc(C(F)(F)F)n1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8258 |
| logD: | 4.4121 |
| logSw: | -4.7925 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.125 |
| InChI Key: | NIAMOSNTKWQMTB-LBPRGKRZSA-N |