2-[(2,3-dichlorophenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
2-[(2,3-dichlorophenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
2-[(2,3-dichlorophenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-5021 |
| Compound Name: | 2-[(2,3-dichlorophenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 354.19 |
| Molecular Formula: | C16 H13 Cl2 N O4 |
| Smiles: | C(c1cccc(c1[Cl])[Cl])N1CC23C=CC(C(C2C1=O)C(O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.678 |
| logD: | 0.4566 |
| logSw: | -3.2577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.956 |
| InChI Key: | RRDTTXDOBVEPKD-UHFFFAOYSA-N |