N-benzyl-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-benzyl-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
N-benzyl-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Compound characteristics
Compound ID: | E667-1400 |
Compound Name: | N-benzyl-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide |
Molecular Weight: | 402.47 |
Molecular Formula: | C20 H22 N2 O5 S |
Smiles: | CC(CC(NCc1ccccc1)=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.5191 |
logD: | 1.5189 |
logSw: | -2.4667 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.481 |
InChI Key: | UQOXSTLKXMHTDI-AWEZNQCLSA-N |