methyl 2-[2-(4-bromo-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-bromo-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(4-bromo-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-3206 |
| Compound Name: | methyl 2-[2-(4-bromo-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 457.3 |
| Molecular Formula: | C16 H17 Br N4 O5 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(Cn3cc(c(n3)[N+]([O-])=O)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3388 |
| logD: | 1.168 |
| logSw: | -3.7573 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.873 |
| InChI Key: | DTJQGUOTHJOFAO-MRVPVSSYSA-N |