N,N-diethyl-1-(2-{[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-1-(2-{[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
N,N-diethyl-1-(2-{[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0263 |
| Compound Name: | N,N-diethyl-1-(2-{[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 484.5 |
| Molecular Formula: | C20 H23 F3 N6 O3 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3298 |
| logD: | 3.3298 |
| logSw: | -3.7383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.478 |
| InChI Key: | LTRZUFMNPKSTAE-UHFFFAOYSA-N |