(5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
(5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | IB04-2963 |
| Compound Name: | (5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 532.04 |
| Molecular Formula: | C27 H18 Cl N3 O3 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(/C(=C/c2cn(c3ccccc3)nc2c2ccc(cc2)[Cl])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.47 |
| logD: | 6.47 |
| logSw: | -7.01 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 175.04 |
| InChI Key: | HWRVHSFWXVPRGI-UHFFFAOYSA-N |