ethyl 2-[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 2-[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
ethyl 2-[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G331-0177 |
| Compound Name: | ethyl 2-[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate |
| Molecular Weight: | 395.43 |
| Molecular Formula: | C22 H22 F N3 O3 |
| Smiles: | CCOC(c1ccccc1NC(NCc1cccn1Cc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2007 |
| logD: | 4.1996 |
| logSw: | -4.2205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.99 |
| InChI Key: | NSJMKMWAHDDAGR-UHFFFAOYSA-N |