5-(2-chlorophenyl)-2-(6,8-dioxabicyclo[3.2.1]octan-2-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(2-chlorophenyl)-2-(6,8-dioxabicyclo[3.2.1]octan-2-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(2-chlorophenyl)-2-(6,8-dioxabicyclo[3.2.1]octan-2-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8013-2024 |
| Compound Name: | 5-(2-chlorophenyl)-2-(6,8-dioxabicyclo[3.2.1]octan-2-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 363.86 |
| Molecular Formula: | C17 H18 Cl N3 O2 S |
| Smiles: | C=CCN1C(c2ccccc2[Cl])=NN(C2CCC3OCC2O3)C1=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5309 |
| logD: | 3.5309 |
| logSw: | -3.9568 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.347 |
| InChI Key: | NSQTYYBKUNIREJ-UHFFFAOYSA-N |