2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methyl-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-(3-chlorophenyl)piperazin-1-yl]-7-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methyl-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: | 4578-0546 |
| Compound Name: | 2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 554.13 |
| Molecular Formula: | C27 H28 Cl N5 O2 S2 |
| Smiles: | CC(C)CN1C(/C(=C/C2=C(N=C3C=CC(C)=CN3C2=O)N2CCN(CC2)c2cccc(c2)[Cl])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1862 |
| logD: | 5.1862 |
| logSw: | -5.4845 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.287 |
| InChI Key: | DARQFQMLPDKXCE-UHFFFAOYSA-N |