N-[3-(azepan-1-yl)propyl]-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-[3-(azepan-1-yl)propyl]-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K784-8721 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 501.09 |
| Molecular Formula: | C25 H33 Cl N6 O S |
| Smiles: | Cc1c(Cc2ccccc2[Cl])c(C)n2c(n1)nc(n2)SCC(NCCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0562 |
| logD: | 1.4276 |
| logSw: | -4.1364 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.181 |
| InChI Key: | VCIMBAZAUYHRRQ-UHFFFAOYSA-N |