N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
Compound characteristics
| Compound ID: | G904-0414 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C27 H31 N3 O4 |
| Smiles: | Cc1c2C(CC(C)(C)Cc2n(c2ccc(cc2)C(NCCc2ccc(c(c2)OC)OC)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6246 |
| logD: | 2.6246 |
| logSw: | -3.0502 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.325 |
| InChI Key: | UFKPBYFBTIWRBP-UHFFFAOYSA-N |