2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-0401 |
| Compound Name: | 2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C17 H21 N5 O4 S |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(Cn3c(C)c(c(C)n3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0804 |
| logD: | 0.6213 |
| logSw: | -2.2097 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.223 |
| InChI Key: | JPRHOCHHXYNOTF-MRVPVSSYSA-N |