4,5-dibromo-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
4,5-dibromo-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
4,5-dibromo-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y501-6856 |
| Compound Name: | 4,5-dibromo-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 469.2 |
| Molecular Formula: | C17 H15 Br2 N3 O S |
| Smiles: | Cc1c(CNC(c2cc(c(s2)[Br])[Br])=O)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5079 |
| logD: | 4.4911 |
| logSw: | -4.3237 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.088 |
| InChI Key: | NXIOCVPZOHAEFF-UHFFFAOYSA-N |