2,2,4-trimethyl-1-(3-nitrobenzoyl)-1,2-dihydroquinolin-6-yl 3-nitrobenzoate
Chemical Structure Depiction of
2,2,4-trimethyl-1-(3-nitrobenzoyl)-1,2-dihydroquinolin-6-yl 3-nitrobenzoate
2,2,4-trimethyl-1-(3-nitrobenzoyl)-1,2-dihydroquinolin-6-yl 3-nitrobenzoate
Compound characteristics
| Compound ID: | Y020-4977 |
| Compound Name: | 2,2,4-trimethyl-1-(3-nitrobenzoyl)-1,2-dihydroquinolin-6-yl 3-nitrobenzoate |
| Molecular Weight: | 487.47 |
| Molecular Formula: | C26 H21 N3 O7 |
| Smiles: | CC1=CC(C)(C)N(C(c2cccc(c2)[N+]([O-])=O)=O)c2ccc(cc12)OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3273 |
| logD: | 5.3273 |
| logSw: | -5.5523 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 101.465 |
| InChI Key: | LEFXMRMBWVUEIA-UHFFFAOYSA-N |