methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
Chemical Structure Depiction of
methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | C663-0734 |
| Compound Name: | methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C20 H23 N5 O2 S2 |
| Smiles: | CCC(C(=O)OC)Sc1nnc(CSc2nc(C)cc(C)n2)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6807 |
| logD: | 3.6805 |
| logSw: | -3.9016 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.04 |
| InChI Key: | OOTNSDFNLSUTNC-INIZCTEOSA-N |