methyl 2-[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 2-[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
methyl 2-[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G331-0327 |
| Compound Name: | methyl 2-[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C23 H25 N3 O3 |
| Smiles: | Cc1ccc(C)c(Cn2cccc2CNC(Nc2ccccc2C(=O)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7454 |
| logD: | 4.7443 |
| logSw: | -4.4936 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.41 |
| InChI Key: | ZMJXBUBYJONPPK-UHFFFAOYSA-N |