N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(3,4-dimethoxybenzene-1-sulfonyl)alaninamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(3,4-dimethoxybenzene-1-sulfonyl)alaninamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(3,4-dimethoxybenzene-1-sulfonyl)alaninamide
Compound characteristics
| Compound ID: | Y050-0540 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(3,4-dimethoxybenzene-1-sulfonyl)alaninamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C19 H22 N2 O7 S |
| Smiles: | CC(C(NCc1ccc2c(c1)OCO2)=O)NS(c1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.485 |
| logD: | 1.4849 |
| logSw: | -2.4438 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.435 |
| InChI Key: | XXVCQVBGSXDSRN-LBPRGKRZSA-N |