4-[5-{[(2-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N,N-diethylaniline
Chemical Structure Depiction of
4-[5-{[(2-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N,N-diethylaniline
4-[5-{[(2-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N,N-diethylaniline
Compound characteristics
| Compound ID: | Y206-7458 |
| Compound Name: | 4-[5-{[(2-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N,N-diethylaniline |
| Molecular Weight: | 412.98 |
| Molecular Formula: | C22 H25 Cl N4 S |
| Smiles: | CCN(CC)c1ccc(cc1)c1nnc(n1CC=C)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1125 |
| logD: | 6.1097 |
| logSw: | -6.2965 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.9554 |
| InChI Key: | HPYCUPNHZSGECV-UHFFFAOYSA-N |