ethyl 2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8015-3785 |
| Compound Name: | ethyl 2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 319.42 |
| Molecular Formula: | C17 H21 N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC1CCCC(C=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5168 |
| logD: | -1.5096 |
| logSw: | -3.9348 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.734 |
| InChI Key: | LQEZRRIGDKAREV-UHFFFAOYSA-N |