methyl 3-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)carbamamido]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)carbamamido]thiophene-2-carboxylate
methyl 3-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)carbamamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E679-0545 |
| Compound Name: | methyl 3-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)carbamamido]thiophene-2-carboxylate |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | CN1C=C(c2ccccc2C1=O)NC(Nc1ccsc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8159 |
| logD: | 1.7283 |
| logSw: | -2.5699 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.948 |
| InChI Key: | BRBIVYHESGLGEZ-UHFFFAOYSA-N |