N-butyl-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
Chemical Structure Depiction of
N-butyl-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
N-butyl-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
Compound characteristics
| Compound ID: | G904-0525 |
| Compound Name: | N-butyl-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide |
| Molecular Weight: | 353.46 |
| Molecular Formula: | C21 H27 N3 O2 |
| Smiles: | CCCCNC(c1ccc(cc1)n1c2CC(C)(C)CC(c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9865 |
| logD: | 2.9865 |
| logSw: | -3.3706 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.336 |
| InChI Key: | MYRZMLDXIVHDQM-UHFFFAOYSA-N |