2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-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]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-0389 |
| Compound Name: | 2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C16 H19 N5 O4 S |
| Smiles: | Cc1c(c(C)n(CC(Nc2c(C(N)=O)c3CCCCc3s2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.6465 |
| logD: | 0.1873 |
| logSw: | -1.6512 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.223 |
| InChI Key: | ADBHIRDHKDUSSC-UHFFFAOYSA-N |