1'-ethyl-3',5'-dimethyl-N-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1'H,2H-[3,4'-bipyrazole]-5-carboxamide
Chemical Structure Depiction of
1'-ethyl-3',5'-dimethyl-N-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1'H,2H-[3,4'-bipyrazole]-5-carboxamide
1'-ethyl-3',5'-dimethyl-N-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1'H,2H-[3,4'-bipyrazole]-5-carboxamide
Compound characteristics
| Compound ID: | D753-0210 |
| Compound Name: | 1'-ethyl-3',5'-dimethyl-N-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1'H,2H-[3,4'-bipyrazole]-5-carboxamide |
| Molecular Weight: | 460.58 |
| Molecular Formula: | C26 H32 N6 O2 |
| Smiles: | CCn1c(C)c(c(C)n1)c1cc(C(N[C@H]2CC[C@@H](CC2)CN2Cc3ccccc3C2=O)=O)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 2.8464 |
| logD: | 2.8463 |
| logSw: | -3.5965 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.791 |
| InChI Key: | HXSMQUOZHLDWBM-UHFFFAOYSA-N |