N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C121-0046 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 449.62 |
| Molecular Formula: | C25 H31 N5 O S |
| Smiles: | Cc1ccccc1Cc1c(C)nc2nc(nn2c1C)SCC(NCCC1CCCCC=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6053 |
| logD: | 4.6052 |
| logSw: | -4.2987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.06 |
| InChI Key: | DCJILRWMETVUDA-UHFFFAOYSA-N |