5-phenyl-4-(prop-2-en-1-yl)-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-phenyl-4-(prop-2-en-1-yl)-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-phenyl-4-(prop-2-en-1-yl)-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8016-2868 |
| Compound Name: | 5-phenyl-4-(prop-2-en-1-yl)-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 300.42 |
| Molecular Formula: | C16 H20 N4 S |
| Smiles: | C=CCN1C(c2ccccc2)=NN(CN2CCCC2)C1=S |
| Stereo: | ACHIRAL |
| logP: | 3.0983 |
| logD: | 0.2598 |
| logSw: | -3.0071 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.8805 |
| InChI Key: | KSGRXRRJGJMUID-UHFFFAOYSA-N |