methyl 2-{[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino}benzoate
methyl 2-{[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C651-0681 |
| Compound Name: | methyl 2-{[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino}benzoate |
| Molecular Weight: | 414.41 |
| Molecular Formula: | C21 H22 N2 O7 |
| Smiles: | COC(c1ccccc1NC(C1CC(c2cc(c(c(c2)OC)OC)OC)=NO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8492 |
| logD: | 2.7701 |
| logSw: | -3.5082 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.377 |
| InChI Key: | SCGIEIZUHLLRBK-SFHVURJKSA-N |