1-(adamantan-1-yl)-N-{4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl}-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-{4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl}-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-{4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl}-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-0580 |
| Compound Name: | 1-(adamantan-1-yl)-N-{4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl}-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 515.54 |
| Molecular Formula: | C24 H23 F2 N5 O4 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(Nc2nc(cs2)c2ccc(cc2)OC(F)F)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0728 |
| logD: | 6.0463 |
| logSw: | -5.878 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.386 |
| InChI Key: | QTEKQSMCKIPEEL-UHFFFAOYSA-N |