N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | G305-2163 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 419.41 |
| Molecular Formula: | C18 H17 N3 O7 S |
| Smiles: | C(CNS(c1ccc2c(c1)OC(N2)=O)(=O)=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.73 |
| logD: | 0.6964 |
| logSw: | -2.2363 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.228 |
| InChI Key: | ZFENWEJMPAMOAQ-UHFFFAOYSA-N |