2-(4-benzylpiperazin-1-yl)-3-{[3-(2-methylpropyl)-4-oxo-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-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-benzylpiperazin-1-yl)-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4618-0022 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-3-{[3-(2-methylpropyl)-4-oxo-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)CN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)Cc2ccccc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9794 |
| logD: | 3.9293 |
| logSw: | -4.0558 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 49.048 |
| InChI Key: | NIKDINOUBHIVDH-UHFFFAOYSA-N |