N-[(2-ethoxyphenyl)methyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(2-ethoxyphenyl)methyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-[(2-ethoxyphenyl)methyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | G305-2277 |
| Compound Name: | N-[(2-ethoxyphenyl)methyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 419.45 |
| Molecular Formula: | C19 H21 N3 O6 S |
| Smiles: | CCOc1ccccc1CNC(CCNS(c1ccc2c(c1)OC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0671 |
| logD: | 2.0335 |
| logSw: | -2.813 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.938 |
| InChI Key: | RNYQKAKPXGJWAW-UHFFFAOYSA-N |