ethyl 2-{2-[(5-{[(thiophene-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-{[(thiophene-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{2-[(5-{[(thiophene-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-1098 |
| Compound Name: | ethyl 2-{2-[(5-{[(thiophene-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 649.73 |
| Molecular Formula: | C28 H26 F3 N5 O4 S3 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(C(C)Sc1nnc(CNC(c2cccs2)=O)n1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5024 |
| logD: | 3.2716 |
| logSw: | -5.4626 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.589 |
| InChI Key: | RQNDIIUGRUJCIO-HNNXBMFYSA-N |