4-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
4-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V024-9380 |
| Compound Name: | 4-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccc(cc1)C(NCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1618 |
| logD: | 4.1618 |
| logSw: | -4.0557 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.032 |
| InChI Key: | BPYFZKQCZYSXEK-UHFFFAOYSA-N |