5,7-dimethyl-3-{[(piperidine-1-sulfonyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidine
Chemical Structure Depiction of
5,7-dimethyl-3-{[(piperidine-1-sulfonyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidine
5,7-dimethyl-3-{[(piperidine-1-sulfonyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidine
Compound characteristics
| Compound ID: | 8018-0768 |
| Compound Name: | 5,7-dimethyl-3-{[(piperidine-1-sulfonyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidine |
| Molecular Weight: | 341.45 |
| Molecular Formula: | C13 H19 N5 O2 S2 |
| Smiles: | Cc1cc(C)n2c(nnc2n1)SCS(N1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9627 |
| logD: | 0.9626 |
| logSw: | -1.7144 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.53 |
| InChI Key: | DSEAIZGPRYXMBD-UHFFFAOYSA-N |