methyl 5-carbamoyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-carbamoyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methylthiophene-3-carboxylate
methyl 5-carbamoyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-6277 |
| Compound Name: | methyl 5-carbamoyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C19 H21 N3 O4 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(CN2CCc3ccccc3C2)=O)sc1C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3249 |
| logD: | -2.5545 |
| logSw: | -2.7488 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.809 |
| InChI Key: | STHJMKUDLAHYCO-UHFFFAOYSA-N |