4-methyl-N-{1-[5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}-3-nitrobenzamide
Chemical Structure Depiction of
4-methyl-N-{1-[5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}-3-nitrobenzamide
4-methyl-N-{1-[5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V015-1551 |
| Compound Name: | 4-methyl-N-{1-[5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}-3-nitrobenzamide |
| Molecular Weight: | 532.58 |
| Molecular Formula: | C26 H24 N6 O5 S |
| Salt: | not_available |
| Smiles: | CC(c1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1cccc(C)c1)NC(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4616 |
| logD: | 5.4613 |
| logSw: | -5.3444 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.023 |
| InChI Key: | PETAPGFXTROWOX-SFHVURJKSA-N |