N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C179-0040 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | Cc1ccccc1Cc1c(C)nc2nc(nn2c1C)SCC(NCC1COc2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2285 |
| logD: | 4.2284 |
| logSw: | -4.3652 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.706 |
| InChI Key: | QJTSRXLAODHYHY-FQEVSTJZSA-N |