methyl 1-oxo-2-{[2-(thiophen-2-yl)quinoline-4-carbonyl]amino}-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-oxo-2-{[2-(thiophen-2-yl)quinoline-4-carbonyl]amino}-1,2-dihydroisoquinoline-4-carboxylate
methyl 1-oxo-2-{[2-(thiophen-2-yl)quinoline-4-carbonyl]amino}-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0123 |
| Compound Name: | methyl 1-oxo-2-{[2-(thiophen-2-yl)quinoline-4-carbonyl]amino}-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C25 H17 N3 O4 S |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(c1cc(c2cccs2)nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7637 |
| logD: | 3.7632 |
| logSw: | -4.0528 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.313 |
| InChI Key: | MLPIIYFHOOJSQB-UHFFFAOYSA-N |