3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)benzamide
Chemical Structure Depiction of
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)benzamide
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)benzamide
Compound characteristics
| Compound ID: | Y501-1283 |
| Compound Name: | 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)benzamide |
| Molecular Weight: | 441.28 |
| Molecular Formula: | C20 H17 Br N4 O3 |
| Smiles: | C1Cc2ccc(cc2C1)NC(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0843 |
| logD: | 4.0842 |
| logSw: | -4.228 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.212 |
| InChI Key: | BERRCEPVWHTROW-UHFFFAOYSA-N |