methyl 1-oxo-2-(3-{4-[(propan-2-yl)oxy]phenyl}prop-2-enamido)-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-oxo-2-(3-{4-[(propan-2-yl)oxy]phenyl}prop-2-enamido)-1,2-dihydroisoquinoline-4-carboxylate
methyl 1-oxo-2-(3-{4-[(propan-2-yl)oxy]phenyl}prop-2-enamido)-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0103 |
| Compound Name: | methyl 1-oxo-2-(3-{4-[(propan-2-yl)oxy]phenyl}prop-2-enamido)-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C23 H22 N2 O5 |
| Smiles: | CC(C)Oc1ccc(/C=C/C(NN2C=C(C(=O)OC)c3ccccc3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1663 |
| logD: | 3.165 |
| logSw: | -3.5506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.824 |
| InChI Key: | RRGPBROBYJUCBW-UHFFFAOYSA-N |