2-{[(4-methoxyphenyl)methyl]amino}-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-methoxyphenyl)methyl]amino}-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(4-methoxyphenyl)methyl]amino}-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0704 |
| Compound Name: | 2-{[(4-methoxyphenyl)methyl]amino}-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C25 H24 N4 O4 S2 |
| Smiles: | COc1ccc(CNC2=C(/C=C3/C(N(CC4CCCO4)C(=S)S3)=O)C(N3C=CC=CC3=N2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4056 |
| logD: | 2.4054 |
| logSw: | -2.6575 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.383 |
| InChI Key: | YSBMCSOEGXPICE-GOSISDBHSA-N |