2-(4-benzylpiperazin-1-yl)-3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-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}-9-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}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1088 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 533.71 |
| Molecular Formula: | C28 H31 N5 O2 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)N2CCN(CC2)Cc2ccccc2)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1788 |
| logD: | 4.1287 |
| logSw: | -4.0497 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 47.374 |
| InChI Key: | MHGNPHYTXKDBQN-FQEVSTJZSA-N |