ethyl 4-[(N-benzyl-3-fluorobenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[(N-benzyl-3-fluorobenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[(N-benzyl-3-fluorobenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G798-0503 |
| Compound Name: | ethyl 4-[(N-benzyl-3-fluorobenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C24 H25 F N2 O3 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccccc2)C(c2cccc(c2)F)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2727 |
| logD: | 4.2727 |
| logSw: | -4.3098 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.913 |
| InChI Key: | YFILBXZUZBAYER-UHFFFAOYSA-N |