N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-(2-methylpropyl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-(2-methylpropyl)benzene-1-sulfonamide
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-(2-methylpropyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D439-0390 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-(2-methylpropyl)benzene-1-sulfonamide |
| Molecular Weight: | 404.92 |
| Molecular Formula: | C19 H21 Cl N4 O2 S |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1ncn(Cc2ccc(cc2)[Cl])n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7652 |
| logD: | 2.8441 |
| logSw: | -4.7773 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.11 |
| InChI Key: | MRSKWIMSXBIDNG-UHFFFAOYSA-N |