5-(3,4-dimethoxyphenyl)-2-[(morpholin-4-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-2-[(morpholin-4-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3,4-dimethoxyphenyl)-2-[(morpholin-4-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8007-8453 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-2-[(morpholin-4-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C1=NN(CN2CCOCC2)C(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.5801 |
| logD: | 2.5669 |
| logSw: | -2.7465 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.822 |
| InChI Key: | YHHDSMFSHFTDHY-UHFFFAOYSA-N |