N-(2,5-dimethoxyphenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-(2,5-dimethoxyphenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C697-0989 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 435.45 |
| Molecular Formula: | C19 H21 N3 O7 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NCCC(Nc1cc(ccc1OC)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.44 |
| logD: | 1.4364 |
| logSw: | -2.5702 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.33 |
| InChI Key: | OTCFLNHSFYXTKB-UHFFFAOYSA-N |