ethyl 4-({(3-fluorobenzene-1-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({(3-fluorobenzene-1-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({(3-fluorobenzene-1-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | G800-0044 |
Compound Name: | ethyl 4-({(3-fluorobenzene-1-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 458.55 |
Molecular Formula: | C24 H27 F N2 O4 S |
Smiles: | CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)S(c2cccc(c2)F)(=O)=O)c(C)[nH]1)=O |
Stereo: | ACHIRAL |
logP: | 5.1817 |
logD: | 5.1817 |
logSw: | -5.0456 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.077 |
InChI Key: | IXTGCQKXGQRYQQ-UHFFFAOYSA-N |