7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-6-chloro-2H-1,4-benzoxazin-3(4H)-one
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | G805-0689 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-6-chloro-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 465.91 |
| Molecular Formula: | C20 H20 Cl N3 O6 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8488 |
| logD: | 1.6951 |
| logSw: | -2.9917 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.876 |
| InChI Key: | TUZKQIOHMOMKHA-UHFFFAOYSA-N |