ethyl 4-[(3-benzyl-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(3-benzyl-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate
ethyl 4-[(3-benzyl-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate
Compound characteristics
| Compound ID: | 8014-7612 |
| Compound Name: | ethyl 4-[(3-benzyl-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate |
| Molecular Weight: | 559.64 |
| Molecular Formula: | C30 H29 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1CC(N(Cc2ccccc2)\C(=N/c2ccc(cc2)C(=O)OCC)S1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9211 |
| logD: | 5.921 |
| logSw: | -5.5483 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.646 |
| InChI Key: | GBRKHMRUBPRBCJ-VWLOTQADSA-N |