N-(adamantan-1-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylprop-2-enamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylprop-2-enamide
N-(adamantan-1-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylprop-2-enamide
Compound characteristics
| Compound ID: | Y500-5917 |
| Compound Name: | N-(adamantan-1-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylprop-2-enamide |
| Molecular Weight: | 404.35 |
| Molecular Formula: | C21 H26 Br N O2 |
| Smiles: | CN(C(/C=C\c1ccc(c(c1)[Br])OC)=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 5.1032 |
| logD: | 5.0932 |
| logSw: | -5.0838 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.4023 |
| InChI Key: | PZXUCHSYEAQYDD-UHFFFAOYSA-N |