3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0822 |
| Compound Name: | 3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C21 H17 N3 O2 S3 |
| Smiles: | CCN1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)Sc2ccccc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0894 |
| logD: | 4.0894 |
| logSw: | -4.1327 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 39.777 |
| InChI Key: | WHNBAOXMTYKNSA-UHFFFAOYSA-N |