6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0360 |
| Compound Name: | 6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 473.5 |
| Molecular Formula: | C22 H23 N3 O7 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.003 |
| logD: | 2.0026 |
| logSw: | -2.9277 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.324 |
| InChI Key: | RWCYBUPVBBOVFU-QGZVFWFLSA-N |