6-{4-[(4-chlorophenyl)acetyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[(4-chlorophenyl)acetyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
6-{4-[(4-chlorophenyl)acetyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0376 |
| Compound Name: | 6-{4-[(4-chlorophenyl)acetyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C22 H24 Cl N3 O5 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(Cc1ccc(cc1)[Cl])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0387 |
| logD: | 3.0383 |
| logSw: | -3.6517 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.681 |
| InChI Key: | ZTOWRZCAUFXILC-LJQANCHMSA-N |