3-cyano-N-(2-{5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide
Chemical Structure Depiction of
3-cyano-N-(2-{5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide
3-cyano-N-(2-{5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G718-1410 |
| Compound Name: | 3-cyano-N-(2-{5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C19 H19 N5 O2 S |
| Smiles: | Cc1cccc(Cc2nc(CCNS(c3cccc(C#N)c3)(=O)=O)n[nH]2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3846 |
| logD: | 3.3831 |
| logSw: | -3.7428 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.66 |
| InChI Key: | PWVIRMUOPWOCFR-UHFFFAOYSA-N |