ethyl 4-({[(2-chlorophenyl)methyl](3-cyanobenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({[(2-chlorophenyl)methyl](3-cyanobenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({[(2-chlorophenyl)methyl](3-cyanobenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0568 |
| Compound Name: | ethyl 4-({[(2-chlorophenyl)methyl](3-cyanobenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 485.99 |
| Molecular Formula: | C24 H24 Cl N3 O4 S |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccccc2[Cl])S(c2cccc(C#N)c2)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9255 |
| logD: | 4.9255 |
| logSw: | -5.0596 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.134 |
| InChI Key: | LTHCIYUFUWLUSP-UHFFFAOYSA-N |