1-{2-[(2-chloro-4-methylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
1-{2-[(2-chloro-4-methylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide
1-{2-[(2-chloro-4-methylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0297 |
| Compound Name: | 1-{2-[(2-chloro-4-methylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 450.95 |
| Molecular Formula: | C19 H23 Cl N6 O3 S |
| Smiles: | CC(C)NS(c1ccc2c(c1)nnn2CCNC(Nc1ccc(C)cc1[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9364 |
| logD: | 2.9361 |
| logSw: | -3.4476 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.901 |
| InChI Key: | XLHOVVQYQWCDAJ-UHFFFAOYSA-N |