2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenyl-N-(quinoxalin-6-yl)propanamide
Chemical Structure Depiction of
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenyl-N-(quinoxalin-6-yl)propanamide
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenyl-N-(quinoxalin-6-yl)propanamide
Compound characteristics
| Compound ID: | D027-0063 |
| Compound Name: | 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenyl-N-(quinoxalin-6-yl)propanamide |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C26 H22 N4 O3 |
| Smiles: | C1C2C=CC1C1C2C(N(C(Cc2ccccc2)C(Nc2ccc3c(c2)nccn3)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6688 |
| logD: | 2.667 |
| logSw: | -3.1181 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.15 |
| InChI Key: | IBHJRNCYMYGFMY-UHFFFAOYSA-N |