6-chloro-2-methyl-7-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-2-methyl-7-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-2-methyl-7-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0571 |
| Compound Name: | 6-chloro-2-methyl-7-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 475.95 |
| Molecular Formula: | C22 H22 Cl N3 O5 S |
| Smiles: | CC1C(Nc2cc(c(cc2O1)S(N1CCN(CC1)C(/C=C/c1ccccc1)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7396 |
| logD: | 2.6703 |
| logSw: | -3.5693 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.487 |
| InChI Key: | GHSFXOGNXJIDIZ-OAHLLOKOSA-N |