methyl 2-[3-(3-methylthiophen-2-yl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(3-methylthiophen-2-yl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[3-(3-methylthiophen-2-yl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0107 |
| Compound Name: | methyl 2-[3-(3-methylthiophen-2-yl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C19 H16 N2 O4 S |
| Smiles: | Cc1ccsc1/C=C/C(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5016 |
| logD: | 2.5014 |
| logSw: | -2.8007 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.04 |
| InChI Key: | SHGHOPMPHHVTLA-UHFFFAOYSA-N |