2-{[3-(morpholin-4-yl)propyl]amino}-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[3-(morpholin-4-yl)propyl]amino}-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[3-(morpholin-4-yl)propyl]amino}-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4678-0145 |
| Compound Name: | 2-{[3-(morpholin-4-yl)propyl]amino}-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 535.69 |
| Molecular Formula: | C27 H29 N5 O3 S2 |
| Smiles: | C(CNC1=C(/C=C2/C(N(CCc3ccccc3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O)CN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.5061 |
| logD: | 2.3335 |
| logSw: | -2.7212 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.896 |
| InChI Key: | BAXMALQZCBWVCG-UHFFFAOYSA-N |