N-[(4-methylphenyl)methyl]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
N-[(4-methylphenyl)methyl]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
Compound characteristics
| Compound ID: | G904-0427 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C25 H27 N3 O2 |
| Smiles: | Cc1ccc(CNC(c2ccc(cc2)n2c3CC(C)(C)CC(c3c(C)n2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5973 |
| logD: | 3.5973 |
| logSw: | -3.9243 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.223 |
| InChI Key: | RIVDFMNVVKPJMI-UHFFFAOYSA-N |