rel-(3aR,7aS)-2-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-9377 |
| Compound Name: | rel-(3aR,7aS)-2-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 309.79 |
| Molecular Formula: | C15 H20 Cl N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(CCCn2cc(c(C)n2)[Cl])C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6934 |
| logD: | 1.6934 |
| logSw: | -2.6786 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.77 |
| InChI Key: | OLIKPFBYKOTNGF-TXEJJXNPSA-N |