ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
Compound characteristics
| Compound ID: | 8014-6221 |
| Compound Name: | ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate |
| Molecular Weight: | 566.03 |
| Molecular Formula: | C28 H24 Cl N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/N(Cc2ccc3c(c2)OCO3)C(CC(C(Nc2cccc(c2)[Cl])=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9445 |
| logD: | 5.9442 |
| logSw: | -6.0671 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.008 |
| InChI Key: | QPKQNCFOXJVCML-DEOSSOPVSA-N |