methyl 4-chloro-2-[({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-[({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
methyl 4-chloro-2-[({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G331-0832 |
| Compound Name: | methyl 4-chloro-2-[({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C22 H22 Cl N3 O3 |
| Smiles: | Cc1ccccc1Cn1cccc1CNC(Nc1cc(ccc1C(=O)OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8128 |
| logD: | 4.7367 |
| logSw: | -4.8133 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.41 |
| InChI Key: | FKWVVHCBCNLZIG-UHFFFAOYSA-N |