N-cyclopropyl-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-cyclopropyl-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-cyclopropyl-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V028-0863 |
| Compound Name: | N-cyclopropyl-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2ccccc2[N+]([O-])=O)nnc1SCc1ccc(cc1)C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.186 |
| logD: | 3.186 |
| logSw: | -3.87 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.769 |
| InChI Key: | CHADKQQQHRHWHC-UHFFFAOYSA-N |