N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[5-(furan-2-yl)-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)methyl]-2-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-3844 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2ccco2)nnc1SCc1ccccc1C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5318 |
| logD: | 4.5318 |
| logSw: | -4.4187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.326 |
| InChI Key: | NITOPPWMJLOIAC-UHFFFAOYSA-N |