2-[4-(3-chlorophenyl)piperazin-1-yl]-3-({3-[(furan-2-yl)methyl]-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]-3-({3-[(furan-2-yl)methyl]-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]-3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0522 |
| Compound Name: | 2-[4-(3-chlorophenyl)piperazin-1-yl]-3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 564.08 |
| Molecular Formula: | C27 H22 Cl N5 O3 S2 |
| Smiles: | C1CN(CCN1C1=C(/C=C2/C(N(Cc3ccco3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4961 |
| logD: | 4.4961 |
| logSw: | -4.5694 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.245 |
| InChI Key: | PVWNQARRUSIUMG-UHFFFAOYSA-N |