N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V028-0976 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C27 H26 N4 O4 S |
| Salt: | not_available |
| Smiles: | COCc1nnc(n1Cc1ccccc1)SCc1ccccc1C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3062 |
| logD: | 4.3062 |
| logSw: | -4.325 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.17 |
| InChI Key: | ALLZKJLOQKQTDM-UHFFFAOYSA-N |