N-(2,4-dimethoxyphenyl)-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)butanamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)butanamide
N-(2,4-dimethoxyphenyl)-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)butanamide
Compound characteristics
| Compound ID: | C034-0002 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)butanamide |
| Molecular Weight: | 384.43 |
| Molecular Formula: | C21 H24 N2 O5 |
| Smiles: | COc1ccc(c(c1)OC)NC(CCCN1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9763 |
| logD: | 0.9761 |
| logSw: | -2.1057 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.94 |
| InChI Key: | VBIGSIOZBVFIGC-UHFFFAOYSA-N |