2-(4-benzylpiperazin-1-yl)-3-[(3-butyl-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-benzylpiperazin-1-yl)-3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-benzylpiperazin-1-yl)-3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3541-0756 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 533.71 |
| Molecular Formula: | C28 H31 N5 O2 S2 |
| Smiles: | CCCCN1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)N2CCN(CC2)Cc2ccccc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2721 |
| logD: | 4.222 |
| logSw: | -3.9266 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.047 |
| InChI Key: | DSHSEFQBAQWDGO-UHFFFAOYSA-N |