methyl 4-chloro-2-[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
methyl 4-chloro-2-[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G331-0279 |
| Compound Name: | methyl 4-chloro-2-[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate |
| Molecular Weight: | 415.85 |
| Molecular Formula: | C21 H19 Cl F N3 O3 |
| Smiles: | COC(c1ccc(cc1NC(NCc1cccn1Cc1ccc(cc1)F)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0587 |
| logD: | 3.9826 |
| logSw: | -4.4953 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.41 |
| InChI Key: | UWRNYIMHKLMTGC-UHFFFAOYSA-N |