ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1389 |
| Compound Name: | ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 485.42 |
| Molecular Formula: | C18 H21 Br N4 O3 S2 |
| Smiles: | CCn1cc(c(C(NC(Nc2c(C(=O)OCC)c3CCCCc3s2)=S)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.0933 |
| logD: | 0.9089 |
| logSw: | -4.1203 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.757 |
| InChI Key: | PUQCPDAIOOQJBS-UHFFFAOYSA-N |