3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-nitro-1-benzothiophene-2-carboxamide
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y205-8191 |
| Compound Name: | 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 442.88 |
| Molecular Formula: | C20 H15 Cl N4 O4 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(c1c(c2ccc(cc2s1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2924 |
| logD: | 2.4674 |
| logSw: | -4.0738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.839 |
| InChI Key: | AOSMIMXGFRRKLT-UHFFFAOYSA-N |