propan-2-yl 2-acetamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-acetamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propan-2-yl 2-acetamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-1163 |
| Compound Name: | propan-2-yl 2-acetamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 295.4 |
| Molecular Formula: | C15 H21 N O3 S |
| Smiles: | CC(C)OC(c1c2CCCCCc2sc1NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4946 |
| logD: | 1.6151 |
| logSw: | -3.9141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.979 |
| InChI Key: | YYKMUKAEOPCXEZ-UHFFFAOYSA-N |