2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-0550 |
| Compound Name: | 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 456.32 |
| Molecular Formula: | C16 H18 Br N5 O4 S |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(Cn3c(C)c(c(n3)[N+]([O-])=O)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.588 |
| logD: | 1.1288 |
| logSw: | -2.3266 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.181 |
| InChI Key: | YWPOJRORVANGBV-SSDOTTSWSA-N |