6-chloro-7-{4-[(3-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{4-[(3-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{4-[(3-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0258 |
| Compound Name: | 6-chloro-7-{4-[(3-fluorophenyl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 467.9 |
| Molecular Formula: | C20 H19 Cl F N3 O5 S |
| Smiles: | C(C(N1CCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 1.8996 |
| logD: | 1.841 |
| logSw: | -3.0111 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.148 |
| InChI Key: | BGHZJPIECLXPKL-UHFFFAOYSA-N |