2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-[4-(pentyloxy)phenyl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-[4-(pentyloxy)phenyl]prop-2-enamide
2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-[4-(pentyloxy)phenyl]prop-2-enamide
Compound characteristics
| Compound ID: | 3453-2300 |
| Compound Name: | 2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-[4-(pentyloxy)phenyl]prop-2-enamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C26 H27 N3 O2 S |
| Smiles: | CCCCCOc1ccc(\C=C(/C#N)C(Nc2ncc(Cc3ccc(C)cc3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.3999 |
| logD: | 6.8889 |
| logSw: | -5.4246 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.1 |
| InChI Key: | AAOVDMXHIMMSLA-UHFFFAOYSA-N |