ethyl 2-{2-[(4-butyl-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-butyl-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-butyl-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: | K403-0791 |
| Compound Name: | ethyl 2-{2-[(4-butyl-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: | 609.69 |
| Molecular Formula: | C27 H30 F3 N5 O4 S2 |
| Smiles: | CCCCn1c(CNC(c2ccccc2C(F)(F)F)=O)nnc1SCC(Nc1c(C(=O)OCC)c2CCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8635 |
| logD: | 2.7918 |
| logSw: | -4.5898 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.864 |
| InChI Key: | RBITWYQSNBBACO-UHFFFAOYSA-N |