6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0069 |
| Compound Name: | 6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C19 H17 N3 O6 S2 |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)OCO2)=O)S(c1ccc2c(c1)SC(N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1337 |
| logD: | 2.112 |
| logSw: | -3.0581 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.669 |
| InChI Key: | QEJOVROJVCYVPQ-UHFFFAOYSA-N |