ethyl (5-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
Chemical Structure Depiction of
ethyl (5-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
ethyl (5-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
Compound characteristics
| Compound ID: | 8013-5968 |
| Compound Name: | ethyl (5-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C16 H21 N5 O3 S2 |
| Smiles: | CCC(C(Nc1nnc(CC(=O)OCC)s1)=O)Sc1nc(C)cc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9643 |
| logD: | 2.9237 |
| logSw: | -3.1151 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.435 |
| InChI Key: | ITPCQOIMWDURQN-NSHDSACASA-N |