4-[rel-(2R,3R,4S)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dimethyl-1H-pyrazole
Chemical Structure Depiction of
4-[rel-(2R,3R,4S)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dimethyl-1H-pyrazole
4-[rel-(2R,3R,4S)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dimethyl-1H-pyrazole
Compound characteristics
| Compound ID: | 8018-8162 |
| Compound Name: | 4-[rel-(2R,3R,4S)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dimethyl-1H-pyrazole |
| Molecular Weight: | 469.55 |
| Molecular Formula: | C15 H13 Br Cl3 N3 O3 |
| Smiles: | Cc1c(c(C)[nH]n1)[C@@H]1c2cc(ccc2O[C@@H]([C@H]1[N+]([O-])=O)C([Cl])([Cl])[Cl])[Br] |
| Stereo: | RELATIVE |
| logP: | 4.5177 |
| logD: | 4.1352 |
| logSw: | -4.6592 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.439 |
| InChI Key: | JRZVEZYANBADJF-RDBSUJKOSA-N |