N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-9953 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 517.56 |
| Molecular Formula: | C26 H23 N5 O5 S |
| Salt: | not_available |
| Smiles: | CCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2962 |
| logD: | 5.2962 |
| logSw: | -5.2429 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.876 |
| InChI Key: | RASOADPEHQKTTH-UHFFFAOYSA-N |