ethyl 2-{[(1-ethyl-1H-pyrazole-4-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(1-ethyl-1H-pyrazole-4-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(1-ethyl-1H-pyrazole-4-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9704 |
| Compound Name: | ethyl 2-{[(1-ethyl-1H-pyrazole-4-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C18 H22 N4 O3 S2 |
| Smiles: | CCn1cc(cn1)C(NC(Nc1c(C(=O)OCC)c2CCCCc2s1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2649 |
| logD: | 1.342 |
| logSw: | -3.5223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.21 |
| InChI Key: | KUNQUFKKTSAHGT-UHFFFAOYSA-N |