N-(3,4-dimethoxyphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
N-(3,4-dimethoxyphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E511-0006 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C20 H22 N2 O7 S |
| Smiles: | Cc1cc2c(cc1S(CCC(Nc1ccc(c(c1)OC)OC)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1041 |
| logD: | 1.1037 |
| logSw: | -2.2457 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.684 |
| InChI Key: | QXJOQTNCTYSDDL-UHFFFAOYSA-N |