3,6-dichloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3,6-dichloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-benzothiophene-2-carboxamide
3,6-dichloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y070-0165 |
| Compound Name: | 3,6-dichloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 432.33 |
| Molecular Formula: | C20 H15 Cl2 N3 O2 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(c1c(c2ccc(cc2s1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0211 |
| logD: | 3.1961 |
| logSw: | -4.629 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.458 |
| InChI Key: | VWSHTFTYJZCRCO-UHFFFAOYSA-N |