(5Z)-3-[(oxolan-2-yl)methyl]-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
(5Z)-3-[(oxolan-2-yl)methyl]-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-3-[(oxolan-2-yl)methyl]-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | IB09-3409 |
| Compound Name: | (5Z)-3-[(oxolan-2-yl)methyl]-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 505.66 |
| Molecular Formula: | C27 H27 N3 O3 S2 |
| Smiles: | [H]C(=C1/C(N(CC2CCCO2)C(=S)S1)=O)\c1cn(c2ccccc2)nc1c1cccc(c1)OCCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.57 |
| logD: | 5.57 |
| logSw: | -6.65 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 164.66 |
| InChI Key: | LPNCXIQSJORLTP-HSZRJFAPSA-N |