N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0957 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]-beta-alaninamide |
| Molecular Weight: | 471.45 |
| Molecular Formula: | C20 H20 F3 N3 O5 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(Nc1ccc(cc1)OC(F)(F)F)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0664 |
| logD: | 3.0663 |
| logSw: | -3.769 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.342 |
| InChI Key: | IUEPSZCNAMARAM-UHFFFAOYSA-N |