2,2,4-trimethyl-1-(2-nitrobenzoyl)-1,2-dihydroquinolin-6-yl 2-nitrobenzoate
Chemical Structure Depiction of
2,2,4-trimethyl-1-(2-nitrobenzoyl)-1,2-dihydroquinolin-6-yl 2-nitrobenzoate
2,2,4-trimethyl-1-(2-nitrobenzoyl)-1,2-dihydroquinolin-6-yl 2-nitrobenzoate
Compound characteristics
| Compound ID: | Y020-5033 |
| Compound Name: | 2,2,4-trimethyl-1-(2-nitrobenzoyl)-1,2-dihydroquinolin-6-yl 2-nitrobenzoate |
| Molecular Weight: | 487.47 |
| Molecular Formula: | C26 H21 N3 O7 |
| Smiles: | CC1=CC(C)(C)N(C(c2ccccc2[N+]([O-])=O)=O)c2ccc(cc12)OC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8719 |
| logD: | 4.8719 |
| logSw: | -4.7669 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.863 |
| InChI Key: | HNLJILPEMXPQIN-UHFFFAOYSA-N |