2-(4-benzylpiperazin-1-yl)-3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-benzylpiperazin-1-yl)-3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1066 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 519.69 |
| Molecular Formula: | C27 H29 N5 O2 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)Cc2ccccc2)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9085 |
| logD: | 3.8584 |
| logSw: | -3.9424 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.353 |
| InChI Key: | PNIMWKQAUDHYEW-IBGZPJMESA-N |