ethyl 2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4-methyl-1,3-thiazole-5-carboxylate
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]-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | C592-3880 |
| 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]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C16 H19 N7 O3 S3 |
| Smiles: | CCOC(c1c(C)nc(NC(CSc2nnc(Cc3csc(N)n3)n2C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7148 |
| logD: | 1.362 |
| logSw: | -2.429 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.852 |
| InChI Key: | KHWIZSPZPGWIIC-UHFFFAOYSA-N |