2-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Chemical Structure Depiction of
2-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
2-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y070-1215 |
| Compound Name: | 2-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C23 H16 N2 O5 |
| Smiles: | COc1ccc(cc1)C(/C(=C\c1cccc(c1)[N+]([O-])=O)c1nc2ccccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3554 |
| logD: | 5.3554 |
| logSw: | -5.478 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.441 |
| InChI Key: | LMTLMMGUVAQUHT-UHFFFAOYSA-N |