2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamide
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C179-0939 |
| Compound Name: | 2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C25 H25 N5 O3 S |
| Smiles: | Cc1c(Cc2ccccc2)c(C)n2c(n1)nc(n2)SCC(NCC1COc2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4968 |
| logD: | 3.4967 |
| logSw: | -3.8463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.706 |
| InChI Key: | NVVHBDUPNOKXDR-IBGZPJMESA-N |