9-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
9-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
9-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: | 4578-0650 |
| Compound Name: | 9-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: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(C)C(=S)S1)=O)C2=O)NCc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7386 |
| logD: | 2.7303 |
| logSw: | -3.1724 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.243 |
| InChI Key: | SNUWYRMKGZFKJW-UHFFFAOYSA-N |