3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0672 |
| Compound Name: | 3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 478.63 |
| Molecular Formula: | C25 H26 N4 O2 S2 |
| Smiles: | CCCCN1C(/C(=C/C2=C(NCc3ccc(C)cc3)N=C3C=CC(C)=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3696 |
| logD: | 4.3671 |
| logSw: | -4.0045 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.954 |
| InChI Key: | XTLYXTNGRNVAEK-UHFFFAOYSA-N |