ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene}amino)benzoate
ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene}amino)benzoate
Compound characteristics
| Compound ID: | 5593-2503 |
| Compound Name: | ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene}amino)benzoate |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C28 H25 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/N(Cc2ccc3c(c2)OCO3)C(CC(C(Nc2ccccc2)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9992 |
| logD: | 4.9992 |
| logSw: | -4.6151 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.008 |
| InChI Key: | KRBOXIBMWJLNTL-DEOSSOPVSA-N |