(2Z)-2-(1,3-benzoxazol-2-yl)-3-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
(2Z)-2-(1,3-benzoxazol-2-yl)-3-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
(2Z)-2-(1,3-benzoxazol-2-yl)-3-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | IB03-5854 |
| Compound Name: | (2Z)-2-(1,3-benzoxazol-2-yl)-3-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-(3,5-dimethoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 570.04 |
| Molecular Formula: | C33 H28 Cl N O6 |
| Smiles: | CCOc1cc(\C=C(/C(c2cc(cc(c2)OC)OC)=O)c2nc3ccccc3o2)ccc1OCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.59 |
| logD: | 7.59 |
| logSw: | -7.49 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 93.63 |
| InChI Key: | GLRNVELFWKIQDZ-UHFFFAOYSA-N |