methyl 2-(4-chloro-3-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-(4-chloro-3-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-(4-chloro-3-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0036 |
| Compound Name: | methyl 2-(4-chloro-3-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(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9468 |
| logD: | 1.0825 |
| logSw: | -3.2722 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.316 |
| InChI Key: | KGKUCYPEDDQYGA-UHFFFAOYSA-N |