6-chloro-7-{4-[(4-fluorophenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{4-[(4-fluorophenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{4-[(4-fluorophenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0284 |
| Compound Name: | 6-chloro-7-{4-[(4-fluorophenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 483.9 |
| Molecular Formula: | C20 H19 Cl F N3 O6 S |
| Smiles: | C1CN(CCN1C(COc1ccc(cc1)F)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2628 |
| logD: | 1.2042 |
| logSw: | -2.8659 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.647 |
| InChI Key: | VOGKBOXHOQEWMV-UHFFFAOYSA-N |