3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0631 |
| Compound Name: | 3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C21 H18 N4 O2 S2 |
| Smiles: | Cc1ccc(CNC2=C(/C=C3/C(N(C)C(=S)S3)=O)C(N3C=CC=CC3=N2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4683 |
| logD: | 2.4658 |
| logSw: | -2.75 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.223 |
| InChI Key: | FVCAYBQNJAACKB-UHFFFAOYSA-N |