3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide
Chemical Structure Depiction of
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide
Compound characteristics
| Compound ID: | Y500-8376 |
| Compound Name: | 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide |
| Molecular Weight: | 407.26 |
| Molecular Formula: | C17 H19 Br N4 O3 |
| Smiles: | C1CCC(CC1)NC(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2698 |
| logD: | 3.2698 |
| logSw: | -3.4553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.973 |
| InChI Key: | HSRSZNAPWVKHPU-UHFFFAOYSA-N |