1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate
Chemical Structure Depiction of
1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate
1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate
Compound characteristics
| Compound ID: | Y020-5147 |
| Compound Name: | 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate |
| Molecular Weight: | 521.91 |
| Molecular Formula: | C26 H20 Cl N3 O7 |
| Smiles: | CC1=CC(C)(C)N(C(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)c2ccc(cc12)OC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5561 |
| logD: | 5.5561 |
| logSw: | -5.8411 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.863 |
| InChI Key: | ZSZOHMSKZVHTQF-UHFFFAOYSA-N |