2-methyl-3-({[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinoxaline
Chemical Structure Depiction of
2-methyl-3-({[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinoxaline
2-methyl-3-({[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinoxaline
Compound characteristics
| Compound ID: | 8017-8284 |
| Compound Name: | 2-methyl-3-({[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinoxaline |
| Molecular Weight: | 392.44 |
| Molecular Formula: | C19 H16 N6 O2 S |
| Smiles: | Cc1c(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2C)nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8635 |
| logD: | 3.863 |
| logSw: | -4.0719 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.208 |
| InChI Key: | JYBBIPSRZQZWEV-UHFFFAOYSA-N |