3,5-dimethyl-4-[rel-(2R,3R,4S)-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-pyrazole
Chemical Structure Depiction of
3,5-dimethyl-4-[rel-(2R,3R,4S)-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-pyrazole
3,5-dimethyl-4-[rel-(2R,3R,4S)-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-pyrazole
Compound characteristics
| Compound ID: | 8018-8161 |
| Compound Name: | 3,5-dimethyl-4-[rel-(2R,3R,4S)-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-pyrazole |
| Molecular Weight: | 390.65 |
| Molecular Formula: | C15 H14 Cl3 N3 O3 |
| Smiles: | Cc1c(c(C)[nH]n1)[C@@H]1c2ccccc2O[C@@H]([C@H]1[N+]([O-])=O)C([Cl])([Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7342 |
| logD: | 3.3518 |
| logSw: | -4.0957 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.439 |
| InChI Key: | ZKGPNAAQFFQKFI-BFHYXJOUSA-N |