3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0858 |
| Compound Name: | 3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 467.63 |
| Molecular Formula: | C23 H21 N3 O2 S3 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(N=C3C=CC(C)=CN3C2=O)Sc2ccccc2)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9936 |
| logD: | 4.9936 |
| logSw: | -4.6019 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 40.856 |
| InChI Key: | KEMYLOSSTATXRX-HNNXBMFYSA-N |