3-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazole
3-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8008-8366 |
| Compound Name: | 3-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazole |
| Molecular Weight: | 266.28 |
| Molecular Formula: | C10 H10 N4 O3 S |
| Smiles: | COc1ccc(CSc2nc[nH]n2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2799 |
| logD: | 1.2683 |
| logSw: | -2.3634 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.103 |
| InChI Key: | OSMQWVXTIPRLQU-UHFFFAOYSA-N |