3-hexyl-5-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-hexyl-5-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
3-hexyl-5-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | Y070-1085 |
| Compound Name: | 3-hexyl-5-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C25 H24 N4 O3 S2 |
| Smiles: | CCCCCCN1C(/C(=C/c2cn(c3ccccc3)nc2c2ccc(cc2)[N+]([O-])=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7357 |
| logD: | 6.7357 |
| logSw: | -5.6999 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.706 |
| InChI Key: | RKRFXZVDABZOFI-UHFFFAOYSA-N |