N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | G305-2086 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-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(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3708 |
| logD: | 1.3372 |
| logSw: | -2.3484 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.843 |
| InChI Key: | KSIQGXZWXVTWAY-UHFFFAOYSA-N |