2-(4-benzylpiperazin-1-yl)-7-methyl-3-{[4-oxo-3-(propan-2-yl)-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)-7-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-benzylpiperazin-1-yl)-7-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0335 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-7-methyl-3-{[4-oxo-3-(propan-2-yl)-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: | CC(C)N1C(/C(=C/C2=C(N=C3C=CC(C)=CN3C2=O)N2CCN(CC2)Cc2ccccc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7505 |
| logD: | 3.7003 |
| logSw: | -3.9661 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 49.287 |
| InChI Key: | JLTADXPIGIGQJP-UHFFFAOYSA-N |