N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-4-[(2,5-dichlorophenoxy)methyl]benzamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-4-[(2,5-dichlorophenoxy)methyl]benzamide
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-4-[(2,5-dichlorophenoxy)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-4489 |
| Compound Name: | N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-4-[(2,5-dichlorophenoxy)methyl]benzamide |
| Molecular Weight: | 496.44 |
| Molecular Formula: | C27 H27 Cl2 N3 O2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1ccc(NC(c2ccc(COc3cc(ccc3[Cl])[Cl])cc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.2361 |
| logD: | 7.1207 |
| logSw: | -6.7054 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.143 |
| InChI Key: | XDMLVADWIYTBCR-UHFFFAOYSA-N |