3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide
3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | E511-0095 |
| Compound Name: | 3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide |
| Molecular Weight: | 464.49 |
| Molecular Formula: | C21 H24 N2 O8 S |
| Smiles: | Cc1cc2c(cc1S(CCC(Nc1cc(c(c(c1)OC)OC)OC)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9497 |
| logD: | 0.9462 |
| logSw: | -2.1962 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.401 |
| InChI Key: | KWONGQLBQADTFT-UHFFFAOYSA-N |