N-(4-chloro-3-nitrophenyl)-6-methoxy-2,2,4-trimethylquinoline-1(2H)-carboxamide
Chemical Structure Depiction of
N-(4-chloro-3-nitrophenyl)-6-methoxy-2,2,4-trimethylquinoline-1(2H)-carboxamide
N-(4-chloro-3-nitrophenyl)-6-methoxy-2,2,4-trimethylquinoline-1(2H)-carboxamide
Compound characteristics
| Compound ID: | 3772-3351 |
| Compound Name: | N-(4-chloro-3-nitrophenyl)-6-methoxy-2,2,4-trimethylquinoline-1(2H)-carboxamide |
| Molecular Weight: | 401.85 |
| Molecular Formula: | C20 H20 Cl N3 O4 |
| Smiles: | CC1=CC(C)(C)N(C(Nc2ccc(c(c2)[N+]([O-])=O)[Cl])=O)c2ccc(cc12)OC |
| Stereo: | ACHIRAL |
| logP: | 5.125 |
| logD: | 5.1247 |
| logSw: | -5.5241 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.769 |
| InChI Key: | VKKNSOOOMVLIPX-UHFFFAOYSA-N |