N-[(furan-2-yl)methyl]-2-({[5-methyl-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-({[5-methyl-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(furan-2-yl)methyl]-2-({[5-methyl-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-7401 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-({[5-methyl-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1ccccc1C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.943 |
| logD: | 3.9427 |
| logSw: | -4.0229 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.305 |
| InChI Key: | SKLQHRJRQXEWFO-UHFFFAOYSA-N |