9-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0556 |
| Compound Name: | 9-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 526.68 |
| Molecular Formula: | C29 H26 N4 O2 S2 |
| Smiles: | CC(c1ccccc1)NC1=C(/C=C2/C(N(CCc3ccccc3)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8451 |
| logD: | 4.8363 |
| logSw: | -4.5061 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.348 |
| InChI Key: | DVQXUGUUMUIFND-FQEVSTJZSA-N |