6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0218 |
| Compound Name: | 6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 461.51 |
| Molecular Formula: | C20 H19 N3 O6 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3904 |
| logD: | 2.3904 |
| logSw: | -2.9548 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 81.131 |
| InChI Key: | KPDZIGPCLRDZDG-UHFFFAOYSA-N |