N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxamide
N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | V006-5114 |
| Compound Name: | N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 444.38 |
| Molecular Formula: | C22 H19 Cl2 N3 O S |
| Smiles: | CC(C)(C)c1cc(NC(c2cc3ccccc3s2)=O)n(c2cc(ccc2[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 7.3742 |
| logD: | 7.3268 |
| logSw: | -6.5803 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.21 |
| InChI Key: | ITFSDVRMIGXIPE-UHFFFAOYSA-N |