7-methyl-2-(4-methylpiperazin-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
7-methyl-2-(4-methylpiperazin-1-yl)-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
7-methyl-2-(4-methylpiperazin-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: | 4578-0239 |
| Compound Name: | 7-methyl-2-(4-methylpiperazin-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: | 457.62 |
| Molecular Formula: | C22 H27 N5 O2 S2 |
| Smiles: | CC(C)CN1C(/C(=C/C2=C(N=C3C=CC(C)=CN3C2=O)N2CCN(C)CC2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7853 |
| logD: | 2.4453 |
| logSw: | -2.9347 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 49.503 |
| InChI Key: | XBNKXRJBNULJFX-UHFFFAOYSA-N |