ethyl 4-({3-[(3,4-dimethoxyphenyl)methyl]-6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({3-[(3,4-dimethoxyphenyl)methyl]-6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
ethyl 4-({3-[(3,4-dimethoxyphenyl)methyl]-6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
Compound characteristics
| Compound ID: | 8014-8562 |
| Compound Name: | ethyl 4-({3-[(3,4-dimethoxyphenyl)methyl]-6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate |
| Molecular Weight: | 591.68 |
| Molecular Formula: | C31 H33 N3 O7 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/N(Cc2ccc(c(c2)OC)OC)C(CC(C(Nc2ccc(cc2)OCC)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2617 |
| logD: | 5.2617 |
| logSw: | -5.0675 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.277 |
| InChI Key: | COQMSMNEFKXEOR-MHZLTWQESA-N |