methyl 2-(2-chloro-4-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-(2-chloro-4-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-(2-chloro-4-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0038 |
| Compound Name: | methyl 2-(2-chloro-4-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 401.76 |
| Molecular Formula: | C18 H12 Cl N3 O6 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0609 |
| logD: | 1.8351 |
| logSw: | -3.2838 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.617 |
| InChI Key: | YQDSTVAVDAPKMC-UHFFFAOYSA-N |