3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(4-benzylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(4-benzylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(4-benzylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1132 |
| Compound Name: | 3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(4-benzylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 597.71 |
| Molecular Formula: | C31 H27 N5 O4 S2 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C1=C(/C=C2/C(N(Cc3ccc4c(c3)OCO4)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2113 |
| logD: | 4.1612 |
| logSw: | -4.3081 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 65.892 |
| InChI Key: | GEOKHSCHUUMNRL-UHFFFAOYSA-N |