methyl 2-{[(1-ethyl-1H-pyrazole-4-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(1-ethyl-1H-pyrazole-4-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[(1-ethyl-1H-pyrazole-4-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9705 |
| Compound Name: | methyl 2-{[(1-ethyl-1H-pyrazole-4-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C17 H20 N4 O3 S2 |
| Smiles: | CCn1cc(cn1)C(NC(Nc1c(C(=O)OC)c2CCCCc2s1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8826 |
| logD: | 0.9597 |
| logSw: | -3.3181 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.63 |
| InChI Key: | VNALSMQDMHLXJU-UHFFFAOYSA-N |