2-(4-benzylpiperazin-1-yl)-3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-benzylpiperazin-1-yl)-3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0081 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 545.73 |
| Molecular Formula: | C29 H31 N5 O2 S2 |
| Smiles: | C1CCC(CC1)N1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)Cc2ccccc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3909 |
| logD: | 4.3408 |
| logSw: | -4.1696 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 47.998 |
| InChI Key: | VNBABIDIYFSUOV-UHFFFAOYSA-N |