N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanamide
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | Y502-0715 |
| Compound Name: | N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | CC(C(Nc1nc(cs1)C12CC3CC(CC(C3)C2)C1)=O)n1cc(c(C)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6215 |
| logD: | 4.609 |
| logSw: | -4.3301 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.153 |
| InChI Key: | ZUNDGMDFOWQNPC-PGBBXINNSA-N |