2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate
Chemical Structure Depiction of
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | Y020-4935 |
| Compound Name: | 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate |
| Molecular Weight: | 383.36 |
| Molecular Formula: | C19 H17 N3 O6 |
| Smiles: | CC1=CC(C)(C)Nc2ccc(cc12)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1809 |
| logD: | 4.1809 |
| logSw: | -4.4384 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.578 |
| InChI Key: | BSGLKJWPMQLOJV-UHFFFAOYSA-N |