ethyl 4-[(3-[2-(4-chlorophenyl)ethyl]-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(3-[2-(4-chlorophenyl)ethyl]-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate
ethyl 4-[(3-[2-(4-chlorophenyl)ethyl]-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate
Compound characteristics
| Compound ID: | 8014-8559 |
| Compound Name: | ethyl 4-[(3-[2-(4-chlorophenyl)ethyl]-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate |
| Molecular Weight: | 608.11 |
| Molecular Formula: | C31 H30 Cl N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1CC(N(CCc2ccc(cc2)[Cl])/C(=N/c2ccc(cc2)C(=O)OCC)S1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.615 |
| logD: | 6.6148 |
| logSw: | -6.3287 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.624 |
| InChI Key: | BKOUDUVIUCUAQQ-AREMUKBSSA-N |