N-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzene-1-sulfonamide
N-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y205-0932 |
| Compound Name: | N-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C16 H15 N5 O4 S |
| Smiles: | Cc1cccc(Cn2cnc(NS(c3cccc(c3)[N+]([O-])=O)(=O)=O)n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9009 |
| logD: | -0.2646 |
| logSw: | -3.4814 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.491 |
| InChI Key: | RUHSMOPIRSKOLX-UHFFFAOYSA-N |