ethyl 1-ethyl-3,5-dimethyl-4-{N-(4-methylbenzoyl)-N-[(pyridin-4-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-3,5-dimethyl-4-{N-(4-methylbenzoyl)-N-[(pyridin-4-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
ethyl 1-ethyl-3,5-dimethyl-4-{N-(4-methylbenzoyl)-N-[(pyridin-4-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | V005-4557 |
Compound Name: | ethyl 1-ethyl-3,5-dimethyl-4-{N-(4-methylbenzoyl)-N-[(pyridin-4-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate |
Molecular Weight: | 461.56 |
Molecular Formula: | C27 H31 N3 O4 |
Salt: | not_available |
Smiles: | CCn1c(C)c(C(CN(Cc2ccncc2)C(c2ccc(C)cc2)=O)=O)c(C)c1C(=O)OCC |
Stereo: | ACHIRAL |
logP: | 3.2032 |
logD: | 3.1846 |
logSw: | -3.1026 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 60.33 |
InChI Key: | JWPPRTXIYQJHLA-UHFFFAOYSA-N |