methyl 2-[2-(4-bromo-5-methyl-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-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0613 |
| Compound Name: | methyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 471.33 |
| Molecular Formula: | C17 H19 Br N4 O5 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(Cn3c(C)c(c(n3)[N+]([O-])=O)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3509 |
| logD: | 1.0043 |
| logSw: | -3.7265 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.296 |
| InChI Key: | VCSUEJQZLLYXAB-MRVPVSSYSA-N |