ethyl 2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | C592-3868 |
| Compound Name: | ethyl 2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C18 H21 N7 O3 S3 |
| Smiles: | CCOC(c1c(C)nc(NC(CSc2nnc(Cc3csc(N)n3)n2CC=C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5411 |
| logD: | 2.3378 |
| logSw: | -2.6847 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.02 |
| InChI Key: | CPOMYUYXJUONGN-UHFFFAOYSA-N |