1-{2-[(3-chlorophenyl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
1-{2-[(3-chlorophenyl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-sulfonamide
1-{2-[(3-chlorophenyl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0167 |
| Compound Name: | 1-{2-[(3-chlorophenyl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 422.89 |
| Molecular Formula: | C17 H19 Cl N6 O3 S |
| Smiles: | CN(C)S(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4537 |
| logD: | 2.4536 |
| logSw: | -3.4985 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.045 |
| InChI Key: | CMTSGJGHVOCGAZ-UHFFFAOYSA-N |