methyl 2-[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]benzoate
methyl 2-[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]benzoate
Compound characteristics
Compound ID: | E204-0076 |
Compound Name: | methyl 2-[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]benzoate |
Molecular Weight: | 390.41 |
Molecular Formula: | C18 H18 N2 O6 S |
Smiles: | CC(N1CCOc2ccc(cc12)S(Nc1ccccc1C(=O)OC)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.1258 |
logD: | 0.4513 |
logSw: | -3.0607 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 85.368 |
InChI Key: | OJHRKUMBRLDYTO-UHFFFAOYSA-N |