N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0682 |
| Compound Name: | N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C26 H25 N3 O3 S2 |
| Smiles: | CC(C)CN1C(C(C(Nc2nc3ccc(cc3s2)OC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8234 |
| logD: | 5.8226 |
| logSw: | -5.4899 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.337 |
| InChI Key: | QLGONUBTXFLYFR-UHFFFAOYSA-N |