N-[(furan-2-yl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(furan-2-yl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-8028 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 525.59 |
| Molecular Formula: | C28 H23 N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5596 |
| logD: | 6.5594 |
| logSw: | -5.6652 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.256 |
| InChI Key: | CTHDBHYEXGIUIR-UHFFFAOYSA-N |