methyl 2-[(cyclohexanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(cyclohexanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(cyclohexanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8012-3705 |
| Compound Name: | methyl 2-[(cyclohexanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 321.44 |
| Molecular Formula: | C17 H23 N O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.968 |
| logD: | 1.1977 |
| logSw: | -4.1915 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.411 |
| InChI Key: | ISQIKWYWHDOCPJ-UHFFFAOYSA-N |