N-(2,5-dimethoxyphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-(2,5-dimethoxyphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | G305-2112 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 421.43 |
| Molecular Formula: | C18 H19 N3 O7 S |
| Smiles: | COc1ccc(c(c1)NC(CCNS(c1ccc2c(c1)OC(N2)=O)(=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.4409 |
| logD: | 1.4072 |
| logSw: | -2.3343 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.882 |
| InChI Key: | DKFSUDVKAGZTIX-UHFFFAOYSA-N |