4-methyl-5-(phenoxymethyl)-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-methyl-5-(phenoxymethyl)-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-methyl-5-(phenoxymethyl)-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8008-4538 |
| Compound Name: | 4-methyl-5-(phenoxymethyl)-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 304.41 |
| Molecular Formula: | C15 H20 N4 O S |
| Smiles: | CN1C(COc2ccccc2)=NN(CN2CCCC2)C1=S |
| Stereo: | ACHIRAL |
| logP: | 2.1514 |
| logD: | -2.5867 |
| logSw: | -2.2185 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.023 |
| InChI Key: | QWLTXFUZWLWXKI-UHFFFAOYSA-N |