ethyl 4-[rel-(3aR,6S,7R,7aS)-3-(cyclohexylcarbamoyl)-7-[(3,4-dichlorophenyl)carbamoyl]-6-methyl-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[rel-(3aR,6S,7R,7aS)-3-(cyclohexylcarbamoyl)-7-[(3,4-dichlorophenyl)carbamoyl]-6-methyl-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]piperidine-1-carboxylate
ethyl 4-[rel-(3aR,6S,7R,7aS)-3-(cyclohexylcarbamoyl)-7-[(3,4-dichlorophenyl)carbamoyl]-6-methyl-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K784-3233 |
| Compound Name: | ethyl 4-[rel-(3aR,6S,7R,7aS)-3-(cyclohexylcarbamoyl)-7-[(3,4-dichlorophenyl)carbamoyl]-6-methyl-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]piperidine-1-carboxylate |
| Molecular Weight: | 633.57 |
| Molecular Formula: | C31 H38 Cl2 N4 O6 |
| Smiles: | CCOC(N1CCC(CC1)N1C(C(NC2CCCCC2)=O)[C@@]23C=C[C@@](C)([C@H](C(Nc4ccc(c(c4)[Cl])[Cl])=O)[C@@H]2C1=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3169 |
| logD: | 3.8633 |
| logSw: | -5.847 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.096 |
| InChI Key: | LKZVPGWFHOORHA-QMUYBGNFSA-N |