methyl 2-[3-(4-bromophenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(4-bromophenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[3-(4-bromophenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0020 |
| Compound Name: | methyl 2-[3-(4-bromophenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 427.25 |
| Molecular Formula: | C20 H15 Br N2 O4 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(/C=C/c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3336 |
| logD: | 3.3324 |
| logSw: | -3.7204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.022 |
| InChI Key: | LQHHQPGJANKEJF-UHFFFAOYSA-N |