3-{[4-(methanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[4-(methanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole
3-{[4-(methanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8014-3965 |
| Compound Name: | 3-{[4-(methanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C16 H14 N4 O4 S2 |
| Smiles: | Cn1c(c2ccccc2)nnc1Sc1ccc(cc1[N+]([O-])=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8628 |
| logD: | 2.8628 |
| logSw: | -3.531 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.88 |
| InChI Key: | VKXORSBRGTXMCB-UHFFFAOYSA-N |