N,N-dimethyl-1-(2-{[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
N,N-dimethyl-1-(2-{[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
N,N-dimethyl-1-(2-{[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0202 |
| Compound Name: | N,N-dimethyl-1-(2-{[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 456.44 |
| Molecular Formula: | C18 H19 F3 N6 O3 S |
| Smiles: | CN(C)S(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7433 |
| logD: | 2.7433 |
| logSw: | -3.4334 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.045 |
| InChI Key: | KYZQNHLDXADCLS-UHFFFAOYSA-N |