2-(adamantan-1-yl)-5-(4-ethoxy-3-methoxyphenyl)-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-ethoxy-3-methoxyphenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
2-(adamantan-1-yl)-5-(4-ethoxy-3-methoxyphenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Compound characteristics
| Compound ID: | 4552-0074 |
| Compound Name: | 2-(adamantan-1-yl)-5-(4-ethoxy-3-methoxyphenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C24 H29 N3 O3 S |
| Smiles: | CCOc1ccc(cc1OC)C1CC(n2c(nc(C34CC5CC(CC(C5)C4)C3)n2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4171 |
| logD: | 5.4171 |
| logSw: | -5.5012 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.982 |
| InChI Key: | HXURILCBOQNDPH-JHXAUMMHSA-N |