2-(4-chloro-3-methylphenoxy)-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-chloro-3-methylphenoxy)-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-chloro-3-methylphenoxy)-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-4272 |
| Compound Name: | 2-(4-chloro-3-methylphenoxy)-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 486.01 |
| Molecular Formula: | C23 H20 Cl N3 O3 S2 |
| Smiles: | CC(C)N1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)Oc2ccc(c(C)c2)[Cl])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1592 |
| logD: | 5.1592 |
| logSw: | -5.7011 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 47.959 |
| InChI Key: | PMZHJKQNMKYPRY-UHFFFAOYSA-N |