rel-(3aR,7aS)-2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-9170 |
| Compound Name: | rel-(3aR,7aS)-2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 388.26 |
| Molecular Formula: | C18 H18 Br N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(C1=O)c1cccc(Cn2cc(cn2)[Br])c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4422 |
| logD: | 2.4422 |
| logSw: | -2.7661 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.578 |
| InChI Key: | YWJDCLQXQJGUEA-IYBDPMFKSA-N |