2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][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-({5,7-dimethyl-6-[(2-methylphenyl)methyl][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-({5,7-dimethyl-6-[(2-methylphenyl)methyl][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: | C179-0091 |
| Compound Name: | 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][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: | 467.59 |
| Molecular Formula: | C24 H29 N5 O3 S |
| Smiles: | Cc1ccccc1Cc1c(C)nc2nc(nn2c1C)SCC(N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1042 |
| logD: | 3.1038 |
| logSw: | -3.1199 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.384 |
| InChI Key: | OKPMIMZBXYKHSG-UHFFFAOYSA-N |