N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V027-9793 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCn1c(c2ccc(C)cc2)nnc1SCc1cccc(c1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2793 |
| logD: | 5.2793 |
| logSw: | -5.2121 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.494 |
| InChI Key: | ZHEOHTSPKJOVLU-UHFFFAOYSA-N |