2-[(3-hydroxypropyl)amino]-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-[(3-hydroxypropyl)amino]-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-[(3-hydroxypropyl)amino]-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0359 |
| Compound Name: | 2-[(3-hydroxypropyl)amino]-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C23 H22 N4 O3 S2 |
| Smiles: | C(CNC1=C(/C=C2/C(N(CCc3ccccc3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O)CO |
| Stereo: | ACHIRAL |
| logP: | 2.0824 |
| logD: | 2.0824 |
| logSw: | -2.5682 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.932 |
| InChI Key: | ZHYDIPJMHPIXIQ-UHFFFAOYSA-N |