{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidin-2-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidin-2-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidin-2-yl]methanone
Compound characteristics
| Compound ID: | C548-3264 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidin-2-yl]methanone |
| Molecular Weight: | 515.61 |
| Molecular Formula: | C23 H25 N5 O5 S2 |
| Smiles: | C1CC(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)N(C1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.073 |
| logD: | 1.7967 |
| logSw: | -2.6458 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.043 |
| InChI Key: | UDBQGWDPEAJOHN-SFHVURJKSA-N |