propyl 4-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}benzoate
Chemical Structure Depiction of
propyl 4-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}benzoate
propyl 4-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}benzoate
Compound characteristics
| Compound ID: | Y501-1118 |
| Compound Name: | propyl 4-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}benzoate |
| Molecular Weight: | 487.31 |
| Molecular Formula: | C21 H19 Br N4 O5 |
| Smiles: | CCCOC(c1ccc(cc1)NC(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3844 |
| logD: | 4.3732 |
| logSw: | -4.2379 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.974 |
| InChI Key: | UAFYWWLSSPCDQQ-UHFFFAOYSA-N |