3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-2004 |
| Compound Name: | 3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 493.65 |
| Molecular Formula: | C26 H27 N3 O3 S2 |
| Smiles: | CCCCC(CC)CN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)Oc2ccccc2)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3376 |
| logD: | 6.3376 |
| logSw: | -5.6766 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 49.218 |
| InChI Key: | IZNRSZPJCRQEOD-SFHVURJKSA-N |