6-{[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,3-dimethoxybenzoic acid
Chemical Structure Depiction of
6-{[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,3-dimethoxybenzoic acid
6-{[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,3-dimethoxybenzoic acid
Compound characteristics
| Compound ID: | 2189-0658 |
| Compound Name: | 6-{[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,3-dimethoxybenzoic acid |
| Molecular Weight: | 511.57 |
| Molecular Formula: | C24 H21 N3 O6 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)N1C(/C(=C\c2ccc(c(c2C(O)=O)OC)OC)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.601 |
| logD: | -0.7805 |
| logSw: | -2.8946 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.687 |
| InChI Key: | BNFVCWSHFGSWKJ-UHFFFAOYSA-N |