1-(adamantan-1-yl)-2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(adamantan-1-yl)-2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(adamantan-1-yl)-2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8015-0869 |
| Compound Name: | 1-(adamantan-1-yl)-2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C27 H29 N3 O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(CSc1nnc(Cc2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2225 |
| logD: | 6.2225 |
| logSw: | -5.9456 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.969 |
| InChI Key: | ORFVLECGFUMBRR-UHFFFAOYSA-N |