3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
Compound ID: | Y070-2170 |
Compound Name: | 3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
Molecular Weight: | 464.61 |
Molecular Formula: | C24 H24 N4 O2 S2 |
Smiles: | CC(C)CNC1=C(/C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
Stereo: | ACHIRAL |
logP: | 4.1062 |
logD: | 4.1062 |
logSw: | -4.218 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.478 |
InChI Key: | BWKNBKGAOQJNAV-UHFFFAOYSA-N |