3,6,6-trimethyl-1-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
3,6,6-trimethyl-1-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydro-4H-indazol-4-one
3,6,6-trimethyl-1-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | G904-0338 |
| Compound Name: | 3,6,6-trimethyl-1-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 351.45 |
| Molecular Formula: | C21 H25 N3 O2 |
| Smiles: | Cc1c2C(CC(C)(C)Cc2n(c2ccc(cc2)C(N2CCCC2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3018 |
| logD: | 2.3018 |
| logSw: | -2.5035 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.824 |
| InChI Key: | PNMUZHNJZANGQB-UHFFFAOYSA-N |