N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)isovaline
Chemical Structure Depiction of
N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)isovaline
N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)isovaline
Compound characteristics
| Compound ID: | 8019-5985 |
| Compound Name: | N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)isovaline |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C14 H18 N2 O6 S |
| Smiles: | CCC(C)(C(O)=O)NS(c1ccc2c(c1)NC(C(C)O2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8336 |
| logD: | -2.6919 |
| logSw: | -2.331 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.978 |
| InChI Key: | UNTSOLQOFSNPPC-UHFFFAOYSA-N |