7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | G805-0402 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H23 N3 O6 S |
| Smiles: | Cc1cc2c(cc1S(N1CCN(CC1)Cc1ccc3c(c1)OCO3)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5893 |
| logD: | 1.4936 |
| logSw: | -2.7055 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.876 |
| InChI Key: | RLNBMNXNGITBRK-UHFFFAOYSA-N |