3-{[(3-methoxyphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-methoxyphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(3-methoxyphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-5596 |
| Compound Name: | 3-{[(3-methoxyphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C22 H18 N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1cccc(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2c2ccccc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2491 |
| logD: | 5.2491 |
| logSw: | -5.2405 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.638 |
| InChI Key: | CGMNMLRGQIMPDY-UHFFFAOYSA-N |