ethyl 2-{2-[(1-{2-[3-(trifluoromethyl)benzamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1-{2-[3-(trifluoromethyl)benzamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(1-{2-[3-(trifluoromethyl)benzamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C064-0273 |
| Compound Name: | ethyl 2-{2-[(1-{2-[3-(trifluoromethyl)benzamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 629.72 |
| Molecular Formula: | C31 H30 F3 N3 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1cn(CCNC(c2cccc(c2)C(F)(F)F)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9858 |
| logD: | 3.804 |
| logSw: | -5.7148 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.822 |
| InChI Key: | LIFQDKWYXHRLRE-UHFFFAOYSA-N |