ethyl {2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate
Chemical Structure Depiction of
ethyl {2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate
ethyl {2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate
Compound characteristics
| Compound ID: | C592-3871 |
| Compound Name: | ethyl {2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C16 H19 N7 O3 S3 |
| Smiles: | CCOC(Cc1csc(NC(CSc2nnc(Cc3csc(N)n3)n2C)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4004 |
| logD: | 1.0476 |
| logSw: | -2.084 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.175 |
| InChI Key: | SJHIOTBUHIJTRZ-UHFFFAOYSA-N |