2-[4-(3-chlorophenyl)piperazin-1-yl]-3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-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)-9-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)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0538 |
| 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)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 578.11 |
| Molecular Formula: | C28 H24 Cl N5 O3 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(Cc3ccco3)C(=S)S1)=O)C2=O)N1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7665 |
| logD: | 4.7665 |
| logSw: | -4.7993 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 55.266 |
| InChI Key: | FANKWEAKXOCBGT-UHFFFAOYSA-N |