5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-{5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-N-[(1H-pyrazol-3-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-{5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-N-[(1H-pyrazol-3-yl)methyl]furan-2-carboxamide
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-{5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-N-[(1H-pyrazol-3-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-3859 |
| Compound Name: | 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-{5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-N-[(1H-pyrazol-3-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 659.34 |
| Molecular Formula: | C26 H25 Br2 N7 O4 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C(N(Cc3cc[nH]n3)C(c3ccc(Cn4c(C)c(c(C)n4)[Br])o3)=O)=O)o2)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.1264 |
| logD: | 3.1264 |
| logSw: | -3.0745 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.128 |
| InChI Key: | SGYNYUIQDYJEED-UHFFFAOYSA-N |