methyl 2-[(bicyclo[2.2.1]heptane-2-carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(bicyclo[2.2.1]heptane-2-carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(bicyclo[2.2.1]heptane-2-carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0428 |
| Compound Name: | methyl 2-[(bicyclo[2.2.1]heptane-2-carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 389.56 |
| Molecular Formula: | C22 H31 N O3 S |
| Smiles: | CC(C)(C)C1CCc2c(C(=O)OC)c(NC(C3CC4CCC3C4)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9957 |
| logD: | 3.03 |
| logSw: | -5.5587 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.063 |
| InChI Key: | BZALCZFYPHRMAQ-UHFFFAOYSA-N |