ethyl 3-[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamido]benzoate
Chemical Structure Depiction of
ethyl 3-[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamido]benzoate
ethyl 3-[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | C082-0083 |
| Compound Name: | ethyl 3-[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamido]benzoate |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C21 H22 N2 O5 |
| Smiles: | CCOC(c1cccc(c1)NC(CCN1C(C2C3CC(C=C3)C2C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2663 |
| logD: | 2.2663 |
| logSw: | -2.9076 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.217 |
| InChI Key: | LZEWSKLCLKSIFZ-UHFFFAOYSA-N |