N-(2H-1,3-benzodioxol-5-yl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2H-1,3-benzodioxol-5-yl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V025-4420 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1CC=C)SCc1ccc(cc1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4533 |
| logD: | 5.4516 |
| logSw: | -5.3774 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.426 |
| InChI Key: | KOERKZDURFYDGA-UHFFFAOYSA-N |