ethyl 2-{[(4-bromo-1-methyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-bromo-1-methyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(4-bromo-1-methyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-3003 |
| Compound Name: | ethyl 2-{[(4-bromo-1-methyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 485.42 |
| Molecular Formula: | C18 H21 Br N4 O3 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(NC(c1c(cn(C)n1)[Br])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.12 |
| logD: | 0.9356 |
| logSw: | -4.1829 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.064 |
| InChI Key: | GOWAZSGIKVJAGK-SECBINFHSA-N |