3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide
3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | E975-1126 |
| Compound Name: | 3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C20 H22 N2 O8 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(CCC(Nc1cc(c(c(c1)OC)OC)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9111 |
| logD: | 0.9076 |
| logSw: | -2.4747 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.996 |
| InChI Key: | GBEFUCJERNBTFI-UHFFFAOYSA-N |