3-(4-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]methyl}phenyl)propanamide
Chemical Structure Depiction of
3-(4-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]methyl}phenyl)propanamide
3-(4-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]methyl}phenyl)propanamide
Compound characteristics
| Compound ID: | S787-0281 |
| Compound Name: | 3-(4-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]methyl}phenyl)propanamide |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C21 H24 N4 O3 S2 |
| Smiles: | C1CN(CCC1Cc1ccc(CCC(N)=O)cc1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4243 |
| logD: | 3.4243 |
| logSw: | -3.7018 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.018 |
| InChI Key: | NWGVULMQIPTXCO-UHFFFAOYSA-N |