2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-nitrobenzoate
Chemical Structure Depiction of
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-nitrobenzoate
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-nitrobenzoate
Compound characteristics
Compound ID: | 4477-0100 |
Compound Name: | 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-nitrobenzoate |
Molecular Weight: | 338.36 |
Molecular Formula: | C19 H18 N2 O4 |
Smiles: | CC1=CC(C)(C)Nc2ccc(cc12)OC(c1cccc(c1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.3914 |
logD: | 4.3914 |
logSw: | -4.4627 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.197 |
InChI Key: | NYXZFYSOJOJDLS-UHFFFAOYSA-N |