methyl 2-[(5-bromopyridine-3-carbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[(5-bromopyridine-3-carbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[(5-bromopyridine-3-carbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0083 |
| Compound Name: | methyl 2-[(5-bromopyridine-3-carbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 402.2 |
| Molecular Formula: | C17 H12 Br N3 O4 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(c1cc(cnc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.647 |
| logD: | 1.3647 |
| logSw: | -2.2369 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.842 |
| InChI Key: | ULCABQXGWWZZTK-UHFFFAOYSA-N |