4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide
Chemical Structure Depiction of
4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide
4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide
Compound characteristics
| Compound ID: | V026-4083 |
| Compound Name: | 4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C26 H23 N5 O3 S |
| Salt: | not_available |
| Smiles: | C1CC1NC(c1ccc(CSc2nnc(c3ccccc3[N+]([O-])=O)n2Cc2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1383 |
| logD: | 4.1383 |
| logSw: | -4.462 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.52 |
| InChI Key: | IVYMJGYYXKDANT-UHFFFAOYSA-N |