ethyl (5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
Chemical Structure Depiction of
ethyl (5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
ethyl (5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
Compound characteristics
| Compound ID: | 8014-1946 |
| Compound Name: | ethyl (5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C13 H18 N6 O3 S2 |
| Smiles: | CCC(C(Nc1nnc(CC(=O)OCC)s1)=O)Sc1nncn1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4608 |
| logD: | 1.4177 |
| logSw: | -2.1676 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.294 |
| InChI Key: | AMFKMOLYLKHMPX-QMMMGPOBSA-N |