methyl 2-[(2,2-dibromo-1-methylcyclopropane-1-carbonyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2,2-dibromo-1-methylcyclopropane-1-carbonyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(2,2-dibromo-1-methylcyclopropane-1-carbonyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y509-0458 |
| Compound Name: | methyl 2-[(2,2-dibromo-1-methylcyclopropane-1-carbonyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 521.31 |
| Molecular Formula: | C20 H27 Br2 N O3 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OC)c(NC(C3(C)CC3([Br])[Br])=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8185 |
| logD: | 3.4407 |
| logSw: | -5.4676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.742 |
| InChI Key: | JNIFMSPZNZZDDX-UHFFFAOYSA-N |