ethyl 5-carbamoyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-carbamoyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methylthiophene-3-carboxylate
ethyl 5-carbamoyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-6283 |
| Compound Name: | ethyl 5-carbamoyl-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | CCOC(c1c(C)c(C(N)=O)sc1NC(CN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7072 |
| logD: | -2.1722 |
| logSw: | -2.8474 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.389 |
| InChI Key: | WLWARWMQLNBMFA-UHFFFAOYSA-N |