1-(azepan-1-yl)-2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)ethan-1-one
1-(azepan-1-yl)-2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | C179-0176 |
| Compound Name: | 1-(azepan-1-yl)-2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C23 H29 N5 O S |
| Smiles: | Cc1cccc(Cc2c(C)nc3nc(nn3c2C)SCC(N2CCCCCC2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.498 |
| logD: | 4.4977 |
| logSw: | -4.3812 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.278 |
| InChI Key: | GQNPEQWOWHRCBR-UHFFFAOYSA-N |