methyl 2-{[1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}benzoate
methyl 2-{[1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G789-0806 |
| Compound Name: | methyl 2-{[1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}benzoate |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C21 H16 Cl N3 O3 S |
| Smiles: | Cc1c2cc(C(Nc3ccccc3C(=O)OC)=O)sc2n(c2ccc(cc2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9837 |
| logD: | 4.965 |
| logSw: | -5.0339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.58 |
| InChI Key: | INPQXRKZFXOOSH-UHFFFAOYSA-N |