6-chloro-7-{4-[(3-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{4-[(3-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{4-[(3-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0552 |
| Compound Name: | 6-chloro-7-{4-[(3-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(Cc1cccc(c1)F)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4857 |
| logD: | 2.4164 |
| logSw: | -3.4287 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.487 |
| InChI Key: | UXQRZOJVDWVWLA-CYBMUJFWSA-N |