3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0514 |
| Compound Name: | 3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 540.11 |
| Molecular Formula: | C26 H26 Cl N5 O2 S2 |
| Smiles: | CCCCN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)c2cccc(c2)[Cl])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9043 |
| logD: | 4.9043 |
| logSw: | -4.8115 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.746 |
| InChI Key: | ZBJXXHSHXPSZOP-UHFFFAOYSA-N |