methyl 2-{[6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
methyl 2-{[6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C168-0477 |
| Compound Name: | methyl 2-{[6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C24 H26 N2 O6 |
| Smiles: | CC(C)CN1C=C(C(Nc2ccccc2C(=O)OC)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6377 |
| logD: | 2.4259 |
| logSw: | -3.9777 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.3 |
| InChI Key: | RETMUFSMDCRRHY-UHFFFAOYSA-N |