methyl 3,4,5-trimethoxy-2-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3,4,5-trimethoxy-2-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]benzoate
methyl 3,4,5-trimethoxy-2-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | 8019-3952 |
| Compound Name: | methyl 3,4,5-trimethoxy-2-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]benzoate |
| Molecular Weight: | 466.47 |
| Molecular Formula: | C20 H22 N2 O9 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)S(Nc1c(cc(c(c1OC)OC)OC)C(=O)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8394 |
| logD: | -2.5745 |
| logSw: | -2.664 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.339 |
| InChI Key: | YBFVALLUESYYKT-SNVBAGLBSA-N |