N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(3-chloro-4-methoxybenzene-1-sulfonyl)alaninamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(3-chloro-4-methoxybenzene-1-sulfonyl)alaninamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(3-chloro-4-methoxybenzene-1-sulfonyl)alaninamide
Compound characteristics
| Compound ID: | Y050-1231 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(3-chloro-4-methoxybenzene-1-sulfonyl)alaninamide |
| Molecular Weight: | 426.87 |
| Molecular Formula: | C18 H19 Cl N2 O6 S |
| Smiles: | CC(C(NCc1ccc2c(c1)OCO2)=O)NS(c1ccc(c(c1)[Cl])OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1552 |
| logD: | 2.1551 |
| logSw: | -3.0067 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.804 |
| InChI Key: | JTTMCZUQCKTMHX-NSHDSACASA-N |