3-(5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 4578-0213 |
| Compound Name: | 3-(5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C20 H20 N4 O5 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CCC(O)=O)C(=S)S3)=O)C(N2C=1)=O)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 0.4199 |
| logD: | -2.1127 |
| logSw: | -1.3196 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.297 |
| InChI Key: | AJODXRQJSVMLSY-UHFFFAOYSA-N |