2-(adamantan-1-yl)-5-(4-fluorophenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-5-(4-fluorophenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
2-(adamantan-1-yl)-5-(4-fluorophenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Compound characteristics
| Compound ID: | 4552-0075 |
| Compound Name: | 2-(adamantan-1-yl)-5-(4-fluorophenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H22 F N3 O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1nc2n(C(CC(c3ccc(cc3)F)S2)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4684 |
| logD: | 5.4684 |
| logSw: | -5.7681 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.141 |
| InChI Key: | MBQYMJRQTQOUFH-CQMMPMSNSA-N |