7-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0043 |
| Compound Name: | 7-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 475.95 |
| Molecular Formula: | C22 H22 Cl N3 O5 S |
| Smiles: | Cc1cc2c(cc1S(N1CCN(CC1)C(/C=C/c1ccccc1[Cl])=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4203 |
| logD: | 2.4198 |
| logSw: | -3.2733 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.148 |
| InChI Key: | JTOPLVQYNADWNI-UHFFFAOYSA-N |