2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one
2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8010-0243 |
| Compound Name: | 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C21 H21 N3 O S |
| Smiles: | Cn1c(c2ccccc2)nnc1SCC(c1ccc2CCCCc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8452 |
| logD: | 4.8452 |
| logSw: | -4.7101 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.218 |
| InChI Key: | ZCXXMZDPCLCOBH-UHFFFAOYSA-N |