propyl 2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propyl 2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5227 |
| Compound Name: | propyl 2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 516.46 |
| Molecular Formula: | C24 H26 Br N3 O3 S |
| Smiles: | CCCOC(c1c2CCC(C)Cc2sc1NC(c1cccc(Cn2cc(cn2)[Br])c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5469 |
| logD: | 1.374 |
| logSw: | -5.3586 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.598 |
| InChI Key: | OHRLVGQJXZUMMH-OAHLLOKOSA-N |