3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
Chemical Structure Depiction of
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
Compound characteristics
| Compound ID: | D027-0035 |
| Compound Name: | 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide |
| Molecular Weight: | 385.37 |
| Molecular Formula: | C19 H19 N3 O6 |
| Smiles: | COc1ccc(cc1NC(CCN1C(C2C3CC(C=C3)C2C1=O)=O)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0759 |
| logD: | 0.9994 |
| logSw: | -2.4164 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.778 |
| InChI Key: | QLHWOODZPLCOGB-UHFFFAOYSA-N |