6-{5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid
Chemical Structure Depiction of
6-{5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid
6-{5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid
Compound characteristics
| Compound ID: | 5756-0249 |
| Compound Name: | 6-{5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid |
| Molecular Weight: | 559.71 |
| Molecular Formula: | C26 H33 N5 O5 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCCCCC(O)=O)C(=S)S1)=O)C2=O)NCCCN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 1.291 |
| logD: | -1.5372 |
| logSw: | -1.7778 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.572 |
| InChI Key: | XHYPFHHAWFJRQJ-UHFFFAOYSA-N |