3-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8016-5664 |
| Compound Name: | 3-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccc(c(c1)[N+]([O-])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7282 |
| logD: | 4.7282 |
| logSw: | -4.5923 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.967 |
| InChI Key: | BGBRZTBTOGMBNA-UHFFFAOYSA-N |