methyl N-[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]alaninate
Chemical Structure Depiction of
methyl N-[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]alaninate
methyl N-[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]alaninate
Compound characteristics
| Compound ID: | G331-0391 |
| Compound Name: | methyl N-[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]alaninate |
| Molecular Weight: | 343.42 |
| Molecular Formula: | C19 H25 N3 O3 |
| Smiles: | CC(C(=O)OC)NC(NCc1cccn1Cc1cc(C)ccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1741 |
| logD: | 3.1741 |
| logSw: | -3.1029 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.865 |
| InChI Key: | BEHCCOGFVVNBFK-HNNXBMFYSA-N |