N-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide
N-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V009-0430 |
| Compound Name: | N-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide |
| Molecular Weight: | 520.52 |
| Molecular Formula: | C24 H20 N6 O6 S |
| Salt: | not_available |
| Smiles: | COc1cccc(CSc2nnc(CNC(c3cccc(c3)[N+]([O-])=O)=O)n2c2ccc(cc2)[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1228 |
| logD: | 4.1226 |
| logSw: | -4.3975 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 124.68 |
| InChI Key: | WRRQNFNDNVFRQE-UHFFFAOYSA-N |