(5-{[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | Y070-4460 |
| Compound Name: | (5-{[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 487.94 |
| Molecular Formula: | C21 H14 Cl N3 O5 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CC(O)=O)C(=S)S1)=O)C2=O)Oc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.0779 |
| logD: | -1.0411 |
| logSw: | -2.6651 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.709 |
| InChI Key: | CTMHTCOKKKECOJ-UHFFFAOYSA-N |