ethyl 2-[2-(3-bromoadamantan-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(3-bromoadamantan-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(3-bromoadamantan-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2514-0024 |
| Compound Name: | ethyl 2-[2-(3-bromoadamantan-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 480.46 |
| Molecular Formula: | C23 H30 Br N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CC12CC3CC(C1)CC(C3)(C2)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8763 |
| logD: | 3.1624 |
| logSw: | -5.5028 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.618 |
| InChI Key: | ANZSUUBQMCNMDL-UHFFFAOYSA-N |