3-bromopropyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
3-bromopropyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
3-bromopropyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 1630-0044 |
| Compound Name: | 3-bromopropyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 453.29 |
| Molecular Formula: | C19 H21 Br N2 O6 |
| Smiles: | CC1=C(C(C(=C(C)N1)C(=O)OCCC[Br])c1cccc(c1)[N+]([O-])=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5991 |
| logD: | -0.5292 |
| logSw: | -3.6921 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.957 |
| InChI Key: | MCIAPXKGANXQCE-KRWDZBQOSA-N |