ethyl 2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3448-6021 |
| Compound Name: | ethyl 2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 352.52 |
| Molecular Formula: | C17 H24 N2 O2 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(NCC(C)=C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6601 |
| logD: | 4.3228 |
| logSw: | -4.4046 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.454 |
| InChI Key: | FKRJRMNISDFKKT-UHFFFAOYSA-N |