methyl 4-[2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}(oxo)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}(oxo)acetamido]benzoate
methyl 4-[2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}(oxo)acetamido]benzoate
Compound characteristics
| Compound ID: | L793-4536 |
| Compound Name: | methyl 4-[2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}(oxo)acetamido]benzoate |
| Molecular Weight: | 380.37 |
| Molecular Formula: | C21 H17 F N2 O4 |
| Smiles: | COC(c1ccc(cc1)NC(C(c1cccn1Cc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0454 |
| logD: | 4.0381 |
| logSw: | -4.2299 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.832 |
| InChI Key: | XEFBFNARCRFLCJ-UHFFFAOYSA-N |