methyl 1-oxo-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enamido]-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-oxo-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enamido]-1,2-dihydroisoquinoline-4-carboxylate
methyl 1-oxo-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enamido]-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0048 |
| Compound Name: | methyl 1-oxo-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enamido]-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 438.44 |
| Molecular Formula: | C23 H22 N2 O7 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(/C=C/c1cc(c(c(c1)OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0439 |
| logD: | 2.0427 |
| logSw: | -2.957 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86 |
| InChI Key: | RWTOJRVJDLJFFA-UHFFFAOYSA-N |