N,N-dimethyl-1-(2-{[(4-methylphenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
N,N-dimethyl-1-(2-{[(4-methylphenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
N,N-dimethyl-1-(2-{[(4-methylphenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0204 |
| Compound Name: | N,N-dimethyl-1-(2-{[(4-methylphenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C19 H24 N6 O3 S |
| Smiles: | Cc1ccc(CNC(NCCn2c3ccc(cc3nn2)S(N(C)C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3721 |
| logD: | 1.3721 |
| logSw: | -2.5216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.367 |
| InChI Key: | YPGLQGHDHUZMAI-UHFFFAOYSA-N |