N-(adamantan-1-yl)-3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide
N-(adamantan-1-yl)-3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
Compound ID: | 6228-1355 |
Compound Name: | N-(adamantan-1-yl)-3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide |
Molecular Weight: | 442.4 |
Molecular Formula: | C23 H28 Br N3 O |
Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(NC23CC4CC(CC(C4)C3)C2)=O)n1)[Br] |
Stereo: | ACHIRAL |
logP: | 4.4473 |
logD: | 4.4473 |
logSw: | -4.4544 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 38.629 |
InChI Key: | OTOOVFDIROSTTJ-UHFFFAOYSA-N |