N-(2-ethylphenyl)-3-[rel-(3aR,7aS)-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]benzamide
Chemical Structure Depiction of
N-(2-ethylphenyl)-3-[rel-(3aR,7aS)-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]benzamide
N-(2-ethylphenyl)-3-[rel-(3aR,7aS)-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]benzamide
Compound characteristics
| Compound ID: | 4117-0225 |
| Compound Name: | N-(2-ethylphenyl)-3-[rel-(3aR,7aS)-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]benzamide |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C24 H24 N2 O3 |
| Smiles: | CCc1ccccc1NC(c1cccc(c1)N1C([C@H]2CC(C)=CC[C@H]2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1889 |
| logD: | 4.1889 |
| logSw: | -4.3071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.465 |
| InChI Key: | VUEDQQGNUOATOB-PMACEKPBSA-N |