2-(4-benzylpiperazin-1-yl)-3-{[4-oxo-3-(2-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)-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-benzylpiperazin-1-yl)-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0087 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 567.73 |
| Molecular Formula: | C31 H29 N5 O2 S2 |
| Smiles: | C(CN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)Cc2ccccc2)SC1=S)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4392 |
| logD: | 4.3891 |
| logSw: | -4.3346 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.755 |
| InChI Key: | NGVUCESTWAJUNX-UHFFFAOYSA-N |