N-[2-(azepan-1-yl)ethyl]-1-(2,1,3-benzothiadiazole-4-sulfonyl)prolinamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-1-(2,1,3-benzothiadiazole-4-sulfonyl)prolinamide
N-[2-(azepan-1-yl)ethyl]-1-(2,1,3-benzothiadiazole-4-sulfonyl)prolinamide
Compound characteristics
| Compound ID: | C548-3356 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-1-(2,1,3-benzothiadiazole-4-sulfonyl)prolinamide |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C19 H27 N5 O3 S2 |
| Smiles: | C1CCCN(CC1)CCNC(C1CCCN1S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0633 |
| logD: | 0.4948 |
| logSw: | -2.5074 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.307 |
| InChI Key: | DYHJYPRPHIBGBH-INIZCTEOSA-N |