methyl 2-[(bicyclo[2.2.1]heptane-2-carbonyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(bicyclo[2.2.1]heptane-2-carbonyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(bicyclo[2.2.1]heptane-2-carbonyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0429 |
| Compound Name: | methyl 2-[(bicyclo[2.2.1]heptane-2-carbonyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 403.58 |
| Molecular Formula: | C23 H33 N O3 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OC)c(NC(C3CC4CCC3C4)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9042 |
| logD: | 2.9385 |
| logSw: | -5.5577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.063 |
| InChI Key: | VCKNNLPQBAONOU-UHFFFAOYSA-N |