N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-4-[(3-bromophenoxy)methyl]benzamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-4-[(3-bromophenoxy)methyl]benzamide
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-4-[(3-bromophenoxy)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-4500 |
| Compound Name: | N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-4-[(3-bromophenoxy)methyl]benzamide |
| Molecular Weight: | 506.44 |
| Molecular Formula: | C27 H28 Br N3 O2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1ccc(NC(c2ccc(COc3cccc(c3)[Br])cc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.595 |
| logD: | 6.4796 |
| logSw: | -6.2301 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.057 |
| InChI Key: | PBFZXIVYCUZPOV-UHFFFAOYSA-N |