ethyl 2-(2-{[4-(2-methoxyphenyl)-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[4-(2-methoxyphenyl)-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-(2-{[4-(2-methoxyphenyl)-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0789 |
| Compound Name: | ethyl 2-(2-{[4-(2-methoxyphenyl)-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 659.71 |
| Molecular Formula: | C30 H28 F3 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(c2ccccc2C(F)(F)F)=O)n1c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7229 |
| logD: | 2.7423 |
| logSw: | -4.5523 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.687 |
| InChI Key: | YYSHDPFJHFKBQB-UHFFFAOYSA-N |