2-{[(4-methylphenyl)methyl]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-{[(4-methylphenyl)methyl]amino}-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(4-methylphenyl)methyl]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: | 4578-0645 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]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: | 512.65 |
| Molecular Formula: | C28 H24 N4 O2 S2 |
| Smiles: | Cc1ccc(CNC2=C(/C=C3/C(N(CCc4ccccc4)C(=S)S3)=O)C(N3C=CC=CC3=N2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5029 |
| logD: | 4.5005 |
| logSw: | -4.3286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.164 |
| InChI Key: | MHSVDQMXCITLCN-UHFFFAOYSA-N |