4-{[3-chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino}-1-methyl-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
4-{[3-chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino}-1-methyl-1H-pyrazole-5-carboxylic acid
4-{[3-chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino}-1-methyl-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y508-4894 |
| Compound Name: | 4-{[3-chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino}-1-methyl-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 401.77 |
| Molecular Formula: | C15 H10 Cl F2 N3 O4 S |
| Smiles: | Cn1c(C(O)=O)c(cn1)NC(c1c(c2ccc(cc2s1)OC(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2979 |
| logD: | -3.2613 |
| logSw: | -3.3058 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.908 |
| InChI Key: | FSEFKXIREXBSJZ-UHFFFAOYSA-N |