ethyl {2-[2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate
Chemical Structure Depiction of
ethyl {2-[2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate
ethyl {2-[2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate
Compound characteristics
| Compound ID: | Y207-4470 |
| Compound Name: | ethyl {2-[2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C18 H22 N6 O3 S2 |
| Smiles: | CCOC(Cc1csc(NC(CSc2nnc(Cc3cccn3C)n2C)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.068 |
| logD: | 2.0661 |
| logSw: | -2.6665 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.774 |
| InChI Key: | AZUCKSAMBGGCOP-UHFFFAOYSA-N |