2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide
2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-2891 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide |
| Molecular Weight: | 504.01 |
| Molecular Formula: | C26 H22 Cl N5 O2 S |
| Smiles: | COc1ccccc1/C=C/C=N/NC(CSc1nnc(c2ccccc2)n1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4585 |
| logD: | 5.4583 |
| logSw: | -6.0157 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.348 |
| InChI Key: | QHAAUNVONBWPGF-UHFFFAOYSA-N |