2-[(2-hydroxyethyl)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-[(2-hydroxyethyl)amino]-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-[(2-hydroxyethyl)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: | 4428-0085 |
| Compound Name: | 2-[(2-hydroxyethyl)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: | 452.55 |
| Molecular Formula: | C22 H20 N4 O3 S2 |
| Smiles: | C(CN1C(/C(=C/C2=C(NCCO)N=C3C=CC=CN3C2=O)SC1=S)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.098 |
| logD: | 2.098 |
| logSw: | -2.5598 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.932 |
| InChI Key: | FIGDCTQPYAAZID-UHFFFAOYSA-N |