propan-2-yl 5-carbamoyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 5-carbamoyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methylthiophene-3-carboxylate
propan-2-yl 5-carbamoyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-6267 |
| Compound Name: | propan-2-yl 5-carbamoyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | CC(C)OC(c1c(C)c(C(N)=O)sc1NC(CN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2174 |
| logD: | -1.6619 |
| logSw: | -3.375 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.068 |
| InChI Key: | OECRTEFHNPDWAG-UHFFFAOYSA-N |