ethyl 5-[5-amino-3-(4-chlorophenyl)-1H-pyrazole-1-sulfonyl]-3-methyl-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
ethyl 5-[5-amino-3-(4-chlorophenyl)-1H-pyrazole-1-sulfonyl]-3-methyl-1-benzofuran-2-carboxylate
ethyl 5-[5-amino-3-(4-chlorophenyl)-1H-pyrazole-1-sulfonyl]-3-methyl-1-benzofuran-2-carboxylate
Compound characteristics
Compound ID: | C665-0042 |
Compound Name: | ethyl 5-[5-amino-3-(4-chlorophenyl)-1H-pyrazole-1-sulfonyl]-3-methyl-1-benzofuran-2-carboxylate |
Molecular Weight: | 459.91 |
Molecular Formula: | C21 H18 Cl N3 O5 S |
Smiles: | CCOC(c1c(C)c2cc(ccc2o1)S(n1c(cc(c2ccc(cc2)[Cl])n1)N)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8534 |
logD: | 4.8534 |
logSw: | -4.8577 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.475 |
InChI Key: | IBKNPINCBIKLBX-UHFFFAOYSA-N |