2-(benzylamino)-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-(benzylamino)-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-(benzylamino)-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: | 4428-0178 |
| Compound Name: | 2-(benzylamino)-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: | 434.54 |
| Molecular Formula: | C22 H18 N4 O2 S2 |
| Smiles: | C=CCN1C(/C(=C/C2=C(NCc3ccccc3)N=C3C=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8644 |
| logD: | 2.8619 |
| logSw: | -3.2928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.435 |
| InChI Key: | LLINDGUNXDUNOB-UHFFFAOYSA-N |