6-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0122 |
| Compound Name: | 6-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H23 N3 O6 S |
| Smiles: | Cc1cccc(c1)OCC(N1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2801 |
| logD: | 1.2799 |
| logSw: | -2.5685 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.647 |
| InChI Key: | CKOHHZMJJAGWEH-UHFFFAOYSA-N |