N-cyclopropyl-2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-cyclopropyl-2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-cyclopropyl-2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V028-1541 |
| Compound Name: | N-cyclopropyl-2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Salt: | not_available |
| Smiles: | COCCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9125 |
| logD: | 3.9125 |
| logSw: | -3.9451 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.413 |
| InChI Key: | ISMJYDHCJAPZSV-UHFFFAOYSA-N |