3-[rel-(3aR,7aS)-5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-N-(2-methoxyphenyl)propanamide
Chemical Structure Depiction of
3-[rel-(3aR,7aS)-5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-N-(2-methoxyphenyl)propanamide
3-[rel-(3aR,7aS)-5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-N-(2-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | 4386-0336 |
| Compound Name: | 3-[rel-(3aR,7aS)-5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-N-(2-methoxyphenyl)propanamide |
| Molecular Weight: | 362.81 |
| Molecular Formula: | C18 H19 Cl N2 O4 |
| Smiles: | COc1ccccc1NC(CCN1C([C@H]2CC=C(C[C@H]2C1=O)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9712 |
| logD: | 1.971 |
| logSw: | -2.8411 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.744 |
| InChI Key: | MLJFGEAJQYNJQU-QWHCGFSZSA-N |