ethyl 2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2969-0302 |
| Compound Name: | ethyl 2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 338.49 |
| Molecular Formula: | C16 H22 N2 O2 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(NCC(C)=C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1641 |
| logD: | 3.8268 |
| logSw: | -4.1111 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.123 |
| InChI Key: | SOGBHLUPPPBOMR-UHFFFAOYSA-N |