2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0869 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 547.65 |
| Molecular Formula: | C27 H25 N5 O4 S2 |
| Smiles: | C=CCN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)Cc2ccc3c(c2)OCO3)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0952 |
| logD: | 2.6364 |
| logSw: | -3.223 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 66.142 |
| InChI Key: | NNINHEUYLROROY-UHFFFAOYSA-N |