N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-3-[(2-bromophenoxy)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-3-[(2-bromophenoxy)methyl]-4-methoxybenzamide
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-3-[(2-bromophenoxy)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | Y501-5535 |
| Compound Name: | N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-3-[(2-bromophenoxy)methyl]-4-methoxybenzamide |
| Molecular Weight: | 536.47 |
| Molecular Formula: | C28 H30 Br N3 O3 |
| Smiles: | COc1ccc(cc1COc1ccccc1[Br])C(Nc1ccn(C23CC4CC(CC(C4)C3)C2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4468 |
| logD: | 6.2963 |
| logSw: | -5.7994 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.774 |
| InChI Key: | RNIXXKVCNJXLBW-UHFFFAOYSA-N |