N-[4-chloro-3-(trifluoromethyl)phenyl]-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | G849-0007 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 515.94 |
| Molecular Formula: | C22 H21 Cl F3 N3 O4 S |
| Smiles: | C(CNS(c1ccc2c(CCN2C(C2CC2)=O)c1)(=O)=O)C(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2935 |
| logD: | 4.117 |
| logSw: | -4.6449 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.189 |
| InChI Key: | NKKYBRGHZIMOKX-UHFFFAOYSA-N |