3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
Chemical Structure Depiction of
3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | C300-0150 |
| Compound Name: | 3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one |
| Molecular Weight: | 614.48 |
| Molecular Formula: | C26 H27 Br F3 N3 O4 S |
| Smiles: | C(CS(c1cc2c(CCN2C(C2CC2)=O)cc1[Br])(=O)=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.025 |
| logD: | 4.025 |
| logSw: | -4.3513 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.858 |
| InChI Key: | ITOWLKRVEHWVHZ-UHFFFAOYSA-N |