1-(benzenesulfonyl)-3-(4-methyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1H-indole
Chemical Structure Depiction of
1-(benzenesulfonyl)-3-(4-methyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1H-indole
1-(benzenesulfonyl)-3-(4-methyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1H-indole
Compound characteristics
| Compound ID: | S322-0138 |
| Compound Name: | 1-(benzenesulfonyl)-3-(4-methyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1H-indole |
| Molecular Weight: | 505.57 |
| Molecular Formula: | C24 H19 N5 O4 S2 |
| Smiles: | Cn1c(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)nnc1SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5142 |
| logD: | 4.5142 |
| logSw: | -4.3 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.425 |
| InChI Key: | PUIGJDXQXDQALN-UHFFFAOYSA-N |