2-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
2-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y501-3632 |
| Compound Name: | 2-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile |
| Molecular Weight: | 440.61 |
| Molecular Formula: | C27 H28 N4 S |
| Smiles: | Cc1c(/C=C(/C#N)c2nc(cs2)C23CC4CC(CC(C4)C3)C2)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.808 |
| logD: | 6.8079 |
| logSw: | -6.0812 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 41.208 |
| InChI Key: | SGOTZEXIMGXBEN-UHFFFAOYSA-N |