ethyl 3-{[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}benzoate
ethyl 3-{[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C498-0897 |
| Compound Name: | ethyl 3-{[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}benzoate |
| Molecular Weight: | 423.46 |
| Molecular Formula: | C22 H18 F N3 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(c1cc2c(c3ccccc3F)nn(C)c2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0643 |
| logD: | 5.0643 |
| logSw: | -4.7082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.201 |
| InChI Key: | CLPCQELOCKDLDV-UHFFFAOYSA-N |