ethyl 4-[(N-cyclohexyl-4-fluorobenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[(N-cyclohexyl-4-fluorobenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[(N-cyclohexyl-4-fluorobenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | G798-0274 |
Compound Name: | ethyl 4-[(N-cyclohexyl-4-fluorobenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 400.49 |
Molecular Formula: | C23 H29 F N2 O3 |
Smiles: | CCOC(c1c(C)c(CN(C2CCCCC2)C(c2ccc(cc2)F)=O)c(C)[nH]1)=O |
Stereo: | ACHIRAL |
logP: | 4.9774 |
logD: | 4.9774 |
logSw: | -4.4792 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.158 |
InChI Key: | XDJIQYKSZJBYMC-UHFFFAOYSA-N |