N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | C064-0245 |
| Compound Name: | N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 503.59 |
| Molecular Formula: | C26 H28 F3 N3 O2 S |
| Smiles: | C1CCCN(CC1)C(CSc1cn(CCNC(c2cccc(c2)C(F)(F)F)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6528 |
| logD: | 4.6528 |
| logSw: | -4.4501 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.927 |
| InChI Key: | FRXULODCUGTLAC-UHFFFAOYSA-N |