N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1',3',5'-trimethyl-1H,1'H-[3,4'-bipyrazole]-5-carboxamide
Chemical Structure Depiction of
N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1',3',5'-trimethyl-1H,1'H-[3,4'-bipyrazole]-5-carboxamide
N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1',3',5'-trimethyl-1H,1'H-[3,4'-bipyrazole]-5-carboxamide
Compound characteristics
| Compound ID: | Y043-4992 |
| Compound Name: | N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1',3',5'-trimethyl-1H,1'H-[3,4'-bipyrazole]-5-carboxamide |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C22 H27 N7 O |
| Smiles: | CC[C@H](C)[C@@H](c1nc2ccccc2[nH]1)NC(c1cc(c2c(C)nn(C)c2C)n[nH]1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7988 |
| logD: | 2.7976 |
| logSw: | -3.2978 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.624 |
| InChI Key: | AGYDWFINBUOKQY-YUNKPMOVSA-N |