methyl 4-[N-(3-ethoxypropyl)-N-(4-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(3-ethoxypropyl)-N-(4-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(3-ethoxypropyl)-N-(4-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | V025-4380 |
Compound Name: | methyl 4-[N-(3-ethoxypropyl)-N-(4-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 432.49 |
Molecular Formula: | C23 H29 F N2 O5 |
Smiles: | CCOCCCN(C(C)C(c1c(C)c(C(=O)OC)[nH]c1C)=O)C(c1ccc(cc1)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.0951 |
logD: | 3.0951 |
logSw: | -3.1213 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.663 |
InChI Key: | CJZKVEFIBOXCAD-INIZCTEOSA-N |