N-(adamantan-2-yl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(adamantan-2-yl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(adamantan-2-yl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-1284 |
| Compound Name: | N-(adamantan-2-yl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 459.34 |
| Molecular Formula: | C21 H23 Br N4 O3 |
| Smiles: | C1C2CC3CC1CC(C2)C3NC(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2204 |
| logD: | 4.2204 |
| logSw: | -4.3826 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.595 |
| InChI Key: | GIPAKAYVBKGAME-UHFFFAOYSA-N |