3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(4-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(4-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(4-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
Compound ID: | 3541-1207 |
Compound Name: | 3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(4-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one |
Molecular Weight: | 456.63 |
Molecular Formula: | C23 H28 N4 O2 S2 |
Smiles: | CCCCN1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)N2CCC(C)CC2)SC1=S)=O |
Stereo: | ACHIRAL |
logP: | 4.2861 |
logD: | 4.2861 |
logSw: | -3.9638 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 44.506 |
InChI Key: | RXNYWUHJEBVSRV-UHFFFAOYSA-N |