7-methyl-2-(4-methylpiperazin-1-yl)-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
7-methyl-2-(4-methylpiperazin-1-yl)-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
7-methyl-2-(4-methylpiperazin-1-yl)-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0247 |
| Compound Name: | 7-methyl-2-(4-methylpiperazin-1-yl)-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 485.63 |
| Molecular Formula: | C23 H27 N5 O3 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CC4CCCO4)C(=S)S3)=O)C(N2C=1)=O)N1CCN(C)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5888 |
| logD: | 1.2488 |
| logSw: | -1.942 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 57.886 |
| InChI Key: | OAHJWRIYYNGWOP-MRXNPFEDSA-N |