methyl 4-[N-benzoyl-N-(prop-2-en-1-yl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-benzoyl-N-(prop-2-en-1-yl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-benzoyl-N-(prop-2-en-1-yl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | V005-2481 |
Compound Name: | methyl 4-[N-benzoyl-N-(prop-2-en-1-yl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 382.46 |
Molecular Formula: | C22 H26 N2 O4 |
Smiles: | CCn1c(C)c(C(CN(CC=C)C(c2ccccc2)=O)=O)c(C)c1C(=O)OC |
Stereo: | ACHIRAL |
logP: | 2.8538 |
logD: | 2.8538 |
logSw: | -3.0774 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 51.572 |
InChI Key: | LHCYXVYUQJSHFY-UHFFFAOYSA-N |