ethyl N-[({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
Chemical Structure Depiction of
ethyl N-[({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
ethyl N-[({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
Compound characteristics
| Compound ID: | C592-2838 |
| Compound Name: | ethyl N-[({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | CCOC(CNC(CSc1nnc(Cc2cccn2C)n1c1cccc(C)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2073 |
| logD: | 3.2049 |
| logSw: | -3.3458 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.187 |
| InChI Key: | SGETVQFUFOYADM-UHFFFAOYSA-N |