3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1109 |
| Compound Name: | 3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 471.64 |
| Molecular Formula: | C23 H29 N5 O2 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(N=C3C=CC(C)=CN3C2=O)N2CCN(CC)CC2)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0591 |
| logD: | 2.6289 |
| logSw: | -3.0238 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.868 |
| InChI Key: | MBLIZSYWPRKVMV-INIZCTEOSA-N |