9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
Compound ID: | 4678-0129 |
Compound Name: | 9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
Molecular Weight: | 549.71 |
Molecular Formula: | C28 H31 N5 O3 S2 |
Smiles: | CC(c1ccccc1)N1C(/C(=C/C2=C(NCCCN3CCOCC3)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8951 |
logD: | 2.7225 |
logSw: | -3.1808 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.279 |
InChI Key: | WHZQAKMTFFTIGQ-FQEVSTJZSA-N |