3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-phenylethyl)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-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0172 |
| Compound Name: | 3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 512.65 |
| Molecular Formula: | C28 H24 N4 O2 S2 |
| Smiles: | C(CNC1=C(/C=C2/C(N(CCc3ccccc3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2441 |
| logD: | 4.244 |
| logSw: | -4.3116 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.005 |
| InChI Key: | PNDRZIXOJWHEMM-UHFFFAOYSA-N |