N-{1-[(4-bromophenoxy)methyl]-1H-pyrazol-4-yl}-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-{1-[(4-bromophenoxy)methyl]-1H-pyrazol-4-yl}-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamide
N-{1-[(4-bromophenoxy)methyl]-1H-pyrazol-4-yl}-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | Y503-3362 |
| Compound Name: | N-{1-[(4-bromophenoxy)methyl]-1H-pyrazol-4-yl}-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 469.68 |
| Molecular Formula: | C16 H14 Br Cl N6 O4 |
| Smiles: | C(Cn1cc(c(n1)[N+]([O-])=O)[Cl])C(Nc1cnn(COc2ccc(cc2)[Br])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7627 |
| logD: | 2.7589 |
| logSw: | -3.4902 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.443 |
| InChI Key: | BEPPTLFXCQMAPV-UHFFFAOYSA-N |