N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,1,3-benzothiadiazole-4-sulfonyl)prolinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,1,3-benzothiadiazole-4-sulfonyl)prolinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,1,3-benzothiadiazole-4-sulfonyl)prolinamide
Compound characteristics
| Compound ID: | C548-3175 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,1,3-benzothiadiazole-4-sulfonyl)prolinamide |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C19 H18 N4 O5 S2 |
| Smiles: | C1CC(C(NCc2ccc3c(c2)OCO3)=O)N(C1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0612 |
| logD: | 2.0612 |
| logSw: | -2.7101 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.268 |
| InChI Key: | NWZZTWGHCFMLRS-AWEZNQCLSA-N |