methyl 4-({[5-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4(5H)-ylidene]methyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({[5-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4(5H)-ylidene]methyl}amino)benzoate
methyl 4-({[5-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4(5H)-ylidene]methyl}amino)benzoate
Compound characteristics
| Compound ID: | K091-1085 |
| Compound Name: | methyl 4-({[5-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4(5H)-ylidene]methyl}amino)benzoate |
| Molecular Weight: | 412.4 |
| Molecular Formula: | C21 H20 N2 O7 |
| Smiles: | COC(c1ccc(cc1)N\C=C1/C(=O)OC(c2cc(c(c(c2)OC)OC)OC)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7648 |
| logD: | 2.7637 |
| logSw: | -3.4475 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.128 |
| InChI Key: | YVVFEDQQZXJIIY-UHFFFAOYSA-N |