3-chloro-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-6-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-6-nitro-1-benzothiophene-2-carboxamide
3-chloro-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-6-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y205-4015 |
| Compound Name: | 3-chloro-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-6-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 426.88 |
| Molecular Formula: | C20 H15 Cl N4 O3 S |
| Smiles: | Cc1ccccc1Cn1ccc(NC(c2c(c3ccc(cc3s2)[N+]([O-])=O)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.538 |
| logD: | 5.495 |
| logSw: | -5.9116 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.414 |
| InChI Key: | ZZJAAISTJOJLSP-UHFFFAOYSA-N |