ethyl 2-{2-[(5-{[(furan-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-{[(furan-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(5-{[(furan-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-1154 |
| Compound Name: | ethyl 2-{2-[(5-{[(furan-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 647.7 |
| Molecular Formula: | C29 H28 F3 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C(C)Sc1nnc(CNC(c2ccco2)=O)n1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2343 |
| logD: | 3.0241 |
| logSw: | -5.1207 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.783 |
| InChI Key: | VSSLIAGTPSIYKN-INIZCTEOSA-N |