ethyl 4-[(3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{[4-(ethoxycarbonyl)phenyl]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-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate
ethyl 4-[(3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate
Compound characteristics
| Compound ID: | 8014-6188 |
| Compound Name: | ethyl 4-[(3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate |
| Molecular Weight: | 603.65 |
| Molecular Formula: | C31 H29 N3 O8 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1CC(N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(cc2)C(=O)OCC)S1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7923 |
| logD: | 5.7921 |
| logSw: | -5.5143 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.761 |
| InChI Key: | WUZRVZJGXXNGPR-SANMLTNESA-N |