6-{4-[(4-chlorophenoxy)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[(4-chlorophenoxy)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
6-{4-[(4-chlorophenoxy)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0235 |
| Compound Name: | 6-{4-[(4-chlorophenoxy)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C21 H22 Cl N3 O6 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(COc1ccc(cc1)[Cl])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9434 |
| logD: | 1.9431 |
| logSw: | -3.0589 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.986 |
| InChI Key: | WQDMQNQYSOSBFB-CQSZACIVSA-N |