2-({5-[(morpholin-4-yl)methyl]-4-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-({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one
2-({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8016-2966 |
| Compound Name: | 2-({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | C1CCc2cc(ccc2C1)C(CSc1nnc(CN2CCOCC2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7216 |
| logD: | 3.7216 |
| logSw: | -4.0948 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.769 |
| InChI Key: | VSLCGLSJTXSDGS-UHFFFAOYSA-N |