methyl 3-[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 3-[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
methyl 3-[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G331-0232 |
| Compound Name: | methyl 3-[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C21 H20 F N3 O3 |
| Smiles: | COC(c1cccc(c1)NC(NCc1cccn1Cc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2029 |
| logD: | 4.2029 |
| logSw: | -4.413 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.108 |
| InChI Key: | UJROBWMTPXUVAD-UHFFFAOYSA-N |