N-(adamantan-1-yl)-N-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-N-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(adamantan-1-yl)-N-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-2001 |
| Compound Name: | N-(adamantan-1-yl)-N-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C22 H26 N4 O3 |
| Smiles: | CN(C(c1ccc(Cn2cc(cn2)[N+]([O-])=O)cc1)=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 3.7121 |
| logD: | 3.7121 |
| logSw: | -3.9375 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.186 |
| InChI Key: | UBWVTUKAMJTEIY-UHFFFAOYSA-N |