methyl 3-{[5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 3-{[5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl]carbamamido}benzoate
methyl 3-{[5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | G545-1034 |
| Compound Name: | methyl 3-{[5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl]carbamamido}benzoate |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C27 H27 F N4 O4 |
| Smiles: | COC(c1cccc(c1)NC(Nc1cc(ccc1N1CCCC1)C(NCc1cccc(c1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4272 |
| logD: | 5.4266 |
| logSw: | -5.4808 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.948 |
| InChI Key: | AFKXKMSJFNCLPW-UHFFFAOYSA-N |