ethyl 2-[2-(adamantan-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(adamantan-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(adamantan-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-8103 |
| Compound Name: | ethyl 2-[2-(adamantan-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 401.57 |
| Molecular Formula: | C23 H31 N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CC12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7056 |
| logD: | 2.9917 |
| logSw: | -5.4693 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.618 |
| InChI Key: | HKWXDCJIBMAAFV-UHFFFAOYSA-N |