2-{4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2-oxoethyl 3-phenylprop-2-enoate
Chemical Structure Depiction of
2-{4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2-oxoethyl 3-phenylprop-2-enoate
2-{4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2-oxoethyl 3-phenylprop-2-enoate
Compound characteristics
| Compound ID: | K415-0391 |
| Compound Name: | 2-{4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2-oxoethyl 3-phenylprop-2-enoate |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C26 H21 N3 O3 |
| Smiles: | Cc1ccc(cc1)c1cnnn1c1ccc(cc1)C(COC(/C=C/c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5225 |
| logD: | 5.5225 |
| logSw: | -5.4184 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.732 |
| InChI Key: | ICVBUGHNMUKFDM-UHFFFAOYSA-N |