methyl N-[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate
methyl N-[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate
Compound characteristics
| Compound ID: | G331-0299 |
| Compound Name: | methyl N-[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate |
| Molecular Weight: | 333.36 |
| Molecular Formula: | C17 H20 F N3 O3 |
| Smiles: | COC(CCNC(NCc1cccn1Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5043 |
| logD: | 1.5043 |
| logSw: | -2.1412 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.948 |
| InChI Key: | BADRLQJOLMUWNI-UHFFFAOYSA-N |