N-{4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl}-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-{4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl}-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-{4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl}-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y502-4609 |
| Compound Name: | N-{4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl}-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 499.49 |
| Molecular Formula: | C23 H19 F2 N5 O4 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(Nc2nc(cs2)c2ccc(cc2)OC(F)F)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6118 |
| logD: | 4.611 |
| logSw: | -4.4043 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.771 |
| InChI Key: | ISTHEDMYZJTEHR-UHFFFAOYSA-N |