4-(2-bromo-3-phenylprop-2-en-1-ylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-(2-bromo-3-phenylprop-2-en-1-ylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
4-(2-bromo-3-phenylprop-2-en-1-ylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-0901 |
| Compound Name: | 4-(2-bromo-3-phenylprop-2-en-1-ylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 444.28 |
| Molecular Formula: | C21 H18 Br N O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C1=NC(=C/C(=C/c2ccccc2)[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.0736 |
| logD: | 4.0736 |
| logSw: | -4.3802 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.354 |
| InChI Key: | RMTRAQHPMLMLRM-UHFFFAOYSA-N |