2-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-methoxyphenyl}-4,6-dinitro-1H-indole
Chemical Structure Depiction of
2-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-methoxyphenyl}-4,6-dinitro-1H-indole
2-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-methoxyphenyl}-4,6-dinitro-1H-indole
Compound characteristics
| Compound ID: | Y500-1029 |
| Compound Name: | 2-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-methoxyphenyl}-4,6-dinitro-1H-indole |
| Molecular Weight: | 500.31 |
| Molecular Formula: | C21 H18 Br N5 O5 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2OC)c2cc3c(cc(cc3[nH]2)[N+]([O-])=O)[N+]([O-])=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8878 |
| logD: | 4.8878 |
| logSw: | -4.8326 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.69 |
| InChI Key: | GRTMFIANTKQLKH-UHFFFAOYSA-N |