7-{4-[(4-chlorophenyl)acetyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{4-[(4-chlorophenyl)acetyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-{4-[(4-chlorophenyl)acetyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0082 |
| Compound Name: | 7-{4-[(4-chlorophenyl)acetyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C21 H22 Cl N3 O5 S |
| Smiles: | Cc1cc2c(cc1S(N1CCN(CC1)C(Cc1ccc(cc1)[Cl])=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0671 |
| logD: | 2.0666 |
| logSw: | -3.0586 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.148 |
| InChI Key: | LAJYUIVEGMHKGE-UHFFFAOYSA-N |