6-chloro-7-{4-[(4-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{4-[(4-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{4-[(4-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0498 |
| Compound Name: | 6-chloro-7-{4-[(4-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 481.93 |
| Molecular Formula: | C21 H21 Cl F N3 O5 S |
| Smiles: | CC1C(Nc2cc(c(cc2O1)S(N1CCN(CC1)C(Cc1ccc(cc1)F)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.347 |
| logD: | 2.2778 |
| logSw: | -3.3707 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.487 |
| InChI Key: | QQNMGPHMHCGZDG-CYBMUJFWSA-N |