8-(2,1,3-benzothiadiazole-4-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(2,1,3-benzothiadiazole-4-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(2,1,3-benzothiadiazole-4-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0056 |
| Compound Name: | 8-(2,1,3-benzothiadiazole-4-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C14 H17 N5 O3 S2 |
| Smiles: | C1CN(CCN2CCNC(C12)=O)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3569 |
| logD: | 0.3556 |
| logSw: | -2.1718 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.472 |
| InChI Key: | BQJKJTIOCYJQAB-LLVKDONJSA-N |