ethyl 2-[(3-oxocyclohex-1-en-1-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(3-oxocyclohex-1-en-1-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[(3-oxocyclohex-1-en-1-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8015-0427 |
| Compound Name: | ethyl 2-[(3-oxocyclohex-1-en-1-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 333.45 |
| Molecular Formula: | C18 H23 N O3 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC1CCCC(C=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0127 |
| logD: | -1.0137 |
| logSw: | -4.215 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.065 |
| InChI Key: | DPFJZEFTMJLIEH-UHFFFAOYSA-N |