methyl 2-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
methyl 2-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamido]benzoate
methyl 2-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | E511-0074 |
| Compound Name: | methyl 2-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C20 H20 N2 O7 S |
| Smiles: | Cc1cc2c(cc1S(CCC(Nc1ccccc1C(=O)OC)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2937 |
| logD: | 1.165 |
| logSw: | -2.4305 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.899 |
| InChI Key: | MYDNIIJKNRERND-UHFFFAOYSA-N |