methyl 2-(4-bromo-3-methoxybenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-(4-bromo-3-methoxybenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-(4-bromo-3-methoxybenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0041 |
| Compound Name: | methyl 2-(4-bromo-3-methoxybenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 431.24 |
| Molecular Formula: | C19 H15 Br N2 O5 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(c1ccc(c(c1)OC)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4212 |
| logD: | 2.3745 |
| logSw: | -2.9553 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.865 |
| InChI Key: | CZESOCHVAXGWIZ-UHFFFAOYSA-N |