6-chloro-7-[4-(2-ethoxybenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[4-(2-ethoxybenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[4-(2-ethoxybenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0528 |
| Compound Name: | 6-chloro-7-[4-(2-ethoxybenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C22 H24 Cl N3 O6 S |
| Smiles: | CCOc1ccccc1C(N1CCN(CC1)S(c1cc2c(cc1[Cl])NC(C(C)O2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3753 |
| logD: | 2.306 |
| logSw: | -3.549 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.224 |
| InChI Key: | WKXUFWFDSCEHNB-CQSZACIVSA-N |