2-(adamantan-1-yl)-5-(3-nitrophenyl)-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-(3-nitrophenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
2-(adamantan-1-yl)-5-(3-nitrophenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Compound characteristics
| Compound ID: | 4552-0027 |
| Compound Name: | 2-(adamantan-1-yl)-5-(3-nitrophenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1nc2n(C(CC(c3cccc(c3)[N+]([O-])=O)S2)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2813 |
| logD: | 5.2813 |
| logSw: | -5.6103 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.523 |
| InChI Key: | DCASQZIHOBRWCX-CQMMPMSNSA-N |