1-acetyl-3-[(3,4-diethoxyphenyl)methyl]-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
1-acetyl-3-[(3,4-diethoxyphenyl)methyl]-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
1-acetyl-3-[(3,4-diethoxyphenyl)methyl]-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | 8015-9090 |
| Compound Name: | 1-acetyl-3-[(3,4-diethoxyphenyl)methyl]-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 384.47 |
| Molecular Formula: | C22 H28 N2 O4 |
| Smiles: | CCOc1ccc(Cc2c3C(CC(C)(C)Cc3n(C(C)=O)n2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.4014 |
| logD: | 2.4014 |
| logSw: | -2.5823 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.583 |
| InChI Key: | FWPNTKIZHVWWRA-UHFFFAOYSA-N |