N-(4-ethoxyphenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-(4-ethoxyphenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C697-0963 |
| Compound Name: | N-(4-ethoxyphenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 419.45 |
| Molecular Formula: | C19 H21 N3 O6 S |
| Smiles: | CCOc1ccc(cc1)NC(CCNS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1255 |
| logD: | 2.1254 |
| logSw: | -3.1705 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.977 |
| InChI Key: | MCQGKVIQMJQBTL-UHFFFAOYSA-N |