N-[4-(5-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-imino-4-oxo-1,3-thiazolidin-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Chemical Structure Depiction of
N-[4-(5-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-imino-4-oxo-1,3-thiazolidin-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
N-[4-(5-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-imino-4-oxo-1,3-thiazolidin-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | 8018-0202 |
| Compound Name: | N-[4-(5-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-imino-4-oxo-1,3-thiazolidin-3-yl)-1,2,5-oxadiazol-3-yl]acetamide |
| Molecular Weight: | 529.62 |
| Molecular Formula: | C27 H27 N7 O3 S |
| Smiles: | CC(Nc1c(non1)N1C(=N)SC(=C/c2cn(c3ccccc3)nc2C23CC4CC(CC(C4)C3)C2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2082 |
| logD: | 3.8058 |
| logSw: | -5.068 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.487 |
| InChI Key: | XNLZESJCZSKHQC-UHFFFAOYSA-N |