methyl 2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0626 |
| Compound Name: | methyl 2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C17 H20 N4 O5 S |
| Smiles: | Cc1c(c(C)n(CC(Nc2c(C(=O)OC)c3CCCCc3s2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4094 |
| logD: | 0.0628 |
| logSw: | -2.5709 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.338 |
| InChI Key: | UQVCHFFSJWJUBI-UHFFFAOYSA-N |