propyl 2-[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}carbamothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}carbamothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propyl 2-[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}carbamothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0216 |
| Compound Name: | propyl 2-[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}carbamothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 575.55 |
| Molecular Formula: | C25 H27 Br N4 O3 S2 |
| Smiles: | CCCOC(c1c2CCC(C)Cc2sc1NC(NC(c1ccc(Cn2cc(cn2)[Br])cc1)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9796 |
| logD: | 4.166 |
| logSw: | -5.4911 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.508 |
| InChI Key: | RCIACVGCJSQZPV-OAHLLOKOSA-N |