N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
Compound characteristics
| Compound ID: | G904-0430 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C25 H25 N3 O4 |
| Smiles: | Cc1c2C(CC(C)(C)Cc2n(c2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0871 |
| logD: | 3.0871 |
| logSw: | -3.391 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.339 |
| InChI Key: | INONDBPRRBTFPB-UHFFFAOYSA-N |