5-{4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
5-{4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8582 |
| Compound Name: | 5-{4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 459.05 |
| Molecular Formula: | C24 H31 Cl N4 O S |
| Smiles: | CCN(CC)CCCn1c(c2ccc(COc3cc(C)c(c(C)c3)[Cl])cc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.9385 |
| logD: | 5.9385 |
| logSw: | -6.3498 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.603 |
| InChI Key: | DKCYDPSRSVYGOV-UHFFFAOYSA-N |