3-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-7244 |
| Compound Name: | 3-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 375.83 |
| Molecular Formula: | C17 H14 Cl N3 O3 S |
| Smiles: | C=CCn1c(c2ccco2)nnc1SCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.286 |
| logD: | 4.286 |
| logSw: | -4.5068 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.913 |
| InChI Key: | MXOOVMJYPXCASI-UHFFFAOYSA-N |