2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-chloro-5-nitrobenzoate
Chemical Structure Depiction of
2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-chloro-5-nitrobenzoate
2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-chloro-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y020-5326 |
| Compound Name: | 2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-chloro-5-nitrobenzoate |
| Molecular Weight: | 374.82 |
| Molecular Formula: | C19 H19 Cl N2 O4 |
| Smiles: | CC1CC(C)(C)Nc2ccc(cc12)OC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8154 |
| logD: | 3.8579 |
| logSw: | -4.977 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.197 |
| InChI Key: | ZJRCBYIFIFQBLY-NSHDSACASA-N |