1-{4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
1-{4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
1-{4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
Compound ID: | G904-0361 |
Compound Name: | 1-{4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one |
Molecular Weight: | 460.53 |
Molecular Formula: | C26 H28 N4 O4 |
Smiles: | Cc1c2C(CC(C)(C)Cc2n(c2ccc(cc2)C(N2CCN(CC2)C(c2ccco2)=O)=O)n1)=O |
Stereo: | ACHIRAL |
logP: | 1.7973 |
logD: | 1.7973 |
logSw: | -1.969 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 69.493 |
InChI Key: | ULKHHJPPCAPNLA-UHFFFAOYSA-N |