ethyl 5-{3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-{3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | G726-1212 |
Compound Name: | ethyl 5-{3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate |
Molecular Weight: | 399.53 |
Molecular Formula: | C23 H33 N3 O3 |
Smiles: | CCN(CC)c1ccc(c(C)c1)NC(CCc1c(C)c(C(=O)OCC)c(C)[nH]1)=O |
Stereo: | ACHIRAL |
logP: | 3.71 |
logD: | 3.5007 |
logSw: | -4.0454 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.385 |
InChI Key: | LHPROHKVJZLVFP-UHFFFAOYSA-N |