2-(4-benzylpiperazin-1-yl)-9-methyl-3-{[4-oxo-3-(1-phenylethyl)-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)-9-methyl-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-benzylpiperazin-1-yl)-9-methyl-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3541-0761 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-9-methyl-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 581.76 |
| Molecular Formula: | C32 H31 N5 O2 S2 |
| Smiles: | CC(c1ccccc1)N1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)N2CCN(CC2)Cc2ccccc2)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8282 |
| logD: | 4.7781 |
| logSw: | -4.4935 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 47.138 |
| InChI Key: | CTUUNUZDDDOSEO-QHCPKHFHSA-N |