9-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5756-2178 |
| Compound Name: | 9-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C24 H21 N3 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CC3CCCO3)C(=S)S1)=O)C2=O)Oc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2739 |
| logD: | 3.2739 |
| logSw: | -3.5374 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 56.621 |
| InChI Key: | SZJMYQJXEQHLFC-QGZVFWFLSA-N |