ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
Chemical Structure Depiction of
ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | C663-0733 |
| Compound Name: | ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C21 H25 N5 O2 S2 |
| Smiles: | CCC(C(=O)OCC)Sc1nnc(CSc2nc(C)cc(C)n2)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1032 |
| logD: | 4.1031 |
| logSw: | -4.1163 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.62 |
| InChI Key: | WDDKARCKXCBVAY-KRWDZBQOSA-N |