methyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
methyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
methyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C663-0752 |
| Compound Name: | methyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C20 H22 F N5 O2 S2 |
| Smiles: | CCC(C(=O)OC)Sc1nnc(CSc2nc(C)cc(C)n2)n1c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8313 |
| logD: | 3.8312 |
| logSw: | -3.892 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.04 |
| InChI Key: | FHKXRKIDPNTTQO-INIZCTEOSA-N |