N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(1-benzylpiperidin-4-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(1-benzylpiperidin-4-yl)-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(1-benzylpiperidin-4-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2590 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(1-benzylpiperidin-4-yl)-beta-alaninamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C21 H25 N5 O3 S2 |
| Smiles: | C1CN(CCC1NC(CCNS(c1cccc2c1nsn2)(=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2741 |
| logD: | 0.7164 |
| logSw: | -2.6426 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.528 |
| InChI Key: | IJLHTKMSXQEBQG-UHFFFAOYSA-N |