3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | 4578-1169 |
| Compound Name: | 3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C27 H19 N3 O4 S3 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(Cc4ccc5c(c4)OCO5)C(=S)S3)=O)C(N2C=1)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2964 |
| logD: | 5.2964 |
| logSw: | -5.2756 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 58.395 |
| InChI Key: | VFZCAEUXJXTODJ-UHFFFAOYSA-N |