methyl 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate
methyl 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6228-1352 |
| Compound Name: | methyl 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 476.39 |
| Molecular Formula: | C21 H22 Br N3 O3 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2cccc(Cn3c(C)c(c(C)n3)[Br])c2)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.9474 |
| logD: | -0.2668 |
| logSw: | -4.3628 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.58 |
| InChI Key: | NXRLVHJMBRGSES-UHFFFAOYSA-N |