5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8016-3005 |
| Compound Name: | 5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C21 H24 N4 O S |
| Smiles: | Cc1ccccc1OCC1=NN(CN2CCCC2)C(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.8973 |
| logD: | 0.7865 |
| logSw: | -4.0456 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.4607 |
| InChI Key: | GEDKJSBFCHOUSH-UHFFFAOYSA-N |