9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
Compound ID: | 3541-1204 |
Compound Name: | 9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one |
Molecular Weight: | 414.55 |
Molecular Formula: | C20 H22 N4 O2 S2 |
Smiles: | CC1CCN(CC1)C1=C(/C=C2/C(N(C)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
Stereo: | ACHIRAL |
logP: | 2.6889 |
logD: | 2.6889 |
logSw: | -2.8456 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 44.294 |
InChI Key: | DQRKBSKIVVZSBW-UHFFFAOYSA-N |