2-[4-(4-chloro-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-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | C163-0054 |
| Compound Name: | 2-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C17 H20 Cl N5 O4 S |
| Smiles: | Cc1c(c(nn1CCCC(Nc1c(C(N)=O)c2CCCCc2s1)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.8354 |
| logD: | 0.0346 |
| logSw: | -2.9467 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.159 |
| InChI Key: | WAYAYDFSZHQNKI-UHFFFAOYSA-N |