7-methyl-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
7-methyl-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
7-methyl-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: | 4578-0669 |
| Compound Name: | 7-methyl-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: | 436.55 |
| Molecular Formula: | C22 H20 N4 O2 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(C)C(=S)S3)=O)C(N2C=1)=O)NCc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7724 |
| logD: | 2.77 |
| logSw: | -3.1687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.742 |
| InChI Key: | YWNYPKFBCPARQD-UHFFFAOYSA-N |