2-[(2-hydroxyethyl)amino]-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-[(2-hydroxyethyl)amino]-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-[(2-hydroxyethyl)amino]-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
Compound ID: | 4578-0116 |
Compound Name: | 2-[(2-hydroxyethyl)amino]-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
Molecular Weight: | 404.51 |
Molecular Formula: | C18 H20 N4 O3 S2 |
Smiles: | CC(C)N1C(/C(=C/C2=C(NCCO)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
Stereo: | ACHIRAL |
logP: | 1.3755 |
logD: | 1.3754 |
logSw: | -1.7552 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.967 |
InChI Key: | HZIBSZIEMLQZAE-UHFFFAOYSA-N |