isoquinolin-6-yl 3-amino-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
isoquinolin-6-yl 3-amino-1-benzothiophene-2-carboxylate
isoquinolin-6-yl 3-amino-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G891-0058 |
| Compound Name: | isoquinolin-6-yl 3-amino-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C18 H12 N2 O2 S |
| Smiles: | c1ccc2c(c1)c(c(C(=O)Oc1ccc3cnccc3c1)s2)N |
| Stereo: | ACHIRAL |
| logP: | 3.6656 |
| logD: | 3.6541 |
| logSw: | -4.3459 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.995 |
| InChI Key: | UGUJISBNPCYBJF-UHFFFAOYSA-N |