3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 0423-0161 |
| Compound Name: | 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 518.57 |
| Molecular Formula: | C25 H18 N4 O5 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)N1C(/C(=C\c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3433 |
| logD: | 4.3433 |
| logSw: | -4.4396 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 76.883 |
| InChI Key: | HUSFIGJETOHCJD-UHFFFAOYSA-N |