2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
Chemical Structure Depiction of
2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
Compound characteristics
| Compound ID: | C179-0790 |
| Compound Name: | 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one |
| Molecular Weight: | 488.01 |
| Molecular Formula: | C23 H26 Cl N5 O3 S |
| Smiles: | Cc1c(Cc2ccccc2[Cl])c(C)n2c(n1)nc(n2)SCC(N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0607 |
| logD: | 3.0604 |
| logSw: | -3.3938 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.384 |
| InChI Key: | QGPWOJIREKPGJK-UHFFFAOYSA-N |