2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | C226-4331 |
| Compound Name: | 2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 470.34 |
| Molecular Formula: | C17 H20 Br N5 O4 S |
| Smiles: | Cc1c(c(nn1CCCC(Nc1c(C(N)=O)c2CCCCc2s1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.8846 |
| logD: | 0.0839 |
| logSw: | -1.6956 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.159 |
| InChI Key: | QKXBQOUZGLVGTK-UHFFFAOYSA-N |