2-[{[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl}(methyl)amino]ethyl [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-[{[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl}(methyl)amino]ethyl [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
2-[{[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl}(methyl)amino]ethyl [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8017-9897 |
| Compound Name: | 2-[{[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl}(methyl)amino]ethyl [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 515.61 |
| Molecular Formula: | C21 H25 N9 O3 S2 |
| Smiles: | Cc1cc(C)n2c(n1)nc(n2)SCC(N(C)CCOC(CSc1nc2nc(C)cc(C)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6431 |
| logD: | 0.6427 |
| logSw: | -1.4089 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.919 |
| InChI Key: | AUAFXHOOBNMPQG-UHFFFAOYSA-N |