2-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-3-(1-methyl-1H-pyrazol-5-yl)prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-3-(1-methyl-1H-pyrazol-5-yl)prop-2-enenitrile
2-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-3-(1-methyl-1H-pyrazol-5-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y500-9527 |
| Compound Name: | 2-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-3-(1-methyl-1H-pyrazol-5-yl)prop-2-enenitrile |
| Molecular Weight: | 350.48 |
| Molecular Formula: | C20 H22 N4 S |
| Smiles: | Cn1c(\C=C(/C#N)c2nc(cs2)C23CC4CC(CC(C4)C3)C2)ccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.9119 |
| logD: | 4.9119 |
| logSw: | -4.6592 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 40.922 |
| InChI Key: | IKOPYUCKEPSNAG-UHFFFAOYSA-N |