methyl 1-oxo-2-[3-(thiophen-2-yl)prop-2-enamido]-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-oxo-2-[3-(thiophen-2-yl)prop-2-enamido]-1,2-dihydroisoquinoline-4-carboxylate
methyl 1-oxo-2-[3-(thiophen-2-yl)prop-2-enamido]-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0104 |
| Compound Name: | methyl 1-oxo-2-[3-(thiophen-2-yl)prop-2-enamido]-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 354.38 |
| Molecular Formula: | C18 H14 N2 O4 S |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(/C=C/c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9634 |
| logD: | 1.9621 |
| logSw: | -2.5616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.04 |
| InChI Key: | WGEDXVSNKRFQDO-UHFFFAOYSA-N |