N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-5461 |
| Compound Name: | N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 486.4 |
| Molecular Formula: | C25 H25 Cl2 N3 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1ccc(NC(c2ccc(COc3cc(ccc3[Cl])[Cl])o2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.9493 |
| logD: | 6.9254 |
| logSw: | -6.6686 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.985 |
| InChI Key: | XTGBXGWFTFSIIG-UHFFFAOYSA-N |