1-(4-methoxyphenyl)-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one
Chemical Structure Depiction of
1-(4-methoxyphenyl)-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one
1-(4-methoxyphenyl)-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one
Compound characteristics
| Compound ID: | 0101-0002 |
| Compound Name: | 1-(4-methoxyphenyl)-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one |
| Molecular Weight: | 279.3 |
| Molecular Formula: | C16 H13 N3 O2 |
| Smiles: | COc1ccc(cc1)C(/C=C/c1ccc(cc1)N1N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0482 |
| logD: | 3.0482 |
| logSw: | -3.2877 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.022 |
| InChI Key: | RKJYOHXKHUNKNA-UHFFFAOYSA-N |