2-[(azepan-1-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
2-[(azepan-1-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
2-[(azepan-1-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | IB03-3152 |
| Compound Name: | 2-[(azepan-1-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C22 H26 N4 O S |
| Smiles: | COc1ccc(cc1)C1=NN(CN2CCCCCC2)C(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.57 |
| logD: | 2.95 |
| logSw: | -5.07 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 95.95 |
| InChI Key: | ZJTNSYUZTRNFLE-UHFFFAOYSA-N |