3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(propan-2-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(propan-2-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(propan-2-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0082 |
| Compound Name: | 3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(propan-2-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C23 H22 N4 O2 S2 |
| Smiles: | CC(C)NC1=C(/C=C2/C(N(CCc3ccccc3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5313 |
| logD: | 3.5313 |
| logSw: | -3.858 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.41 |
| InChI Key: | WFSZDCJAKFYRAN-UHFFFAOYSA-N |