ethyl 2-[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 2-[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
ethyl 2-[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G331-0335 |
| Compound Name: | ethyl 2-[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C24 H27 N3 O3 |
| Smiles: | CCOC(c1ccccc1NC(NCc1cccn1Cc1cc(C)ccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2891 |
| logD: | 5.288 |
| logSw: | -5.2065 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.99 |
| InChI Key: | MCGXYQSNRIIHTP-UHFFFAOYSA-N |