1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | G904-0035 |
| Compound Name: | 1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C27 H28 N4 O4 |
| Smiles: | Cc1c2C(CCCc2n(c2ccc(cc2)C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3376 |
| logD: | 2.146 |
| logSw: | -2.8593 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.114 |
| InChI Key: | IIZLNKOVDFTGIE-UHFFFAOYSA-N |