ethyl 4-{N-(2H-1,3-benzodioxole-5-carbonyl)-N-[(4-fluorophenyl)methyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{N-(2H-1,3-benzodioxole-5-carbonyl)-N-[(4-fluorophenyl)methyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{N-(2H-1,3-benzodioxole-5-carbonyl)-N-[(4-fluorophenyl)methyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4728 |
| Compound Name: | ethyl 4-{N-(2H-1,3-benzodioxole-5-carbonyl)-N-[(4-fluorophenyl)methyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C28 H29 F N2 O6 |
| Smiles: | CCn1c(C)c(C(CN(Cc2ccc(cc2)F)C(c2ccc3c(c2)OCO3)=O)=O)c(C)c1C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.0038 |
| logD: | 4.0038 |
| logSw: | -4.3027 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.017 |
| InChI Key: | ZEWPXJCRWJZCPG-UHFFFAOYSA-N |