ethyl 2-(2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-(2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3112-5197 |
| Compound Name: | ethyl 2-(2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C20 H22 F3 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nc(C)cc(C(F)(F)F)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9895 |
| logD: | 2.9648 |
| logSw: | -4.6736 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.015 |
| InChI Key: | ZIXAFFHBSBCXKR-UHFFFAOYSA-N |