ethyl N-[({4-(4-methylphenyl)-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-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
ethyl N-[({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
Compound characteristics
| Compound ID: | C677-0132 |
| Compound Name: | ethyl N-[({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | CCOC(CNC(CSc1nnc(Cc2cccn2C)n1c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7616 |
| logD: | 2.7616 |
| logSw: | -3.0131 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.488 |
| InChI Key: | SKHBMJDDBSXBOD-UHFFFAOYSA-N |