methyl 3-[({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 3-[({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
methyl 3-[({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G331-0864 |
| Compound Name: | methyl 3-[({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C22 H23 N3 O3 |
| Smiles: | Cc1ccccc1Cn1cccc1CNC(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8639 |
| logD: | 4.8639 |
| logSw: | -4.6376 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.108 |
| InChI Key: | DBCGTVHVLVYDFF-UHFFFAOYSA-N |