ethyl 2-[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}carbamothioyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}carbamothioyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}carbamothioyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0217 |
| Compound Name: | ethyl 2-[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}carbamothioyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 575.55 |
| Molecular Formula: | C25 H27 Br N4 O3 S2 |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(NC(c3ccc(Cn4cc(cn4)[Br])cc3)=O)=S)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0133 |
| logD: | 4.1997 |
| logSw: | -5.4961 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.214 |
| InChI Key: | BTMIFNNSXMLMQG-OAHLLOKOSA-N |