N-(propan-2-yl)-1-(2-{[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
N-(propan-2-yl)-1-(2-{[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
N-(propan-2-yl)-1-(2-{[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0321 |
| Compound Name: | N-(propan-2-yl)-1-(2-{[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 470.47 |
| Molecular Formula: | C19 H21 F3 N6 O3 S |
| Smiles: | CC(C)NS(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2549 |
| logD: | 3.2546 |
| logSw: | -3.7611 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.599 |
| InChI Key: | YDAXOCGERHIYIC-UHFFFAOYSA-N |