2-({6-[(2-chloro-6-fluorophenyl)methyl]-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-[(2-chloro-6-fluorophenyl)methyl]-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-[(2-chloro-6-fluorophenyl)methyl]-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: | K784-8724 |
| Compound Name: | 2-({6-[(2-chloro-6-fluorophenyl)methyl]-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: | 528 |
| Molecular Formula: | C25 H23 Cl F N5 O3 S |
| Smiles: | Cc1c(Cc2c(cccc2[Cl])F)c(C)n2c(n1)nc(n2)SCC(NCC1COc2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.145 |
| logD: | 4.1449 |
| logSw: | -4.3901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.706 |
| InChI Key: | KVBKOHAZQWQYBV-INIZCTEOSA-N |