methyl 2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-6321 |
| Compound Name: | methyl 2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 506.42 |
| Molecular Formula: | C22 H24 Br N3 O4 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(c3ccc(Cn4c(C)c(c(C)n4)[Br])o3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6178 |
| logD: | 1.6136 |
| logSw: | -4.556 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.342 |
| InChI Key: | HLAJXPBCTXYXCM-LLVKDONJSA-N |