6-{4-[(4-bromophenyl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[(4-bromophenyl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-{4-[(4-bromophenyl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0081 |
| Compound Name: | 6-{4-[(4-bromophenyl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 494.36 |
| Molecular Formula: | C20 H20 Br N3 O5 S |
| Smiles: | C(C(N1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1209 |
| logD: | 2.1207 |
| logSw: | -3.0932 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.148 |
| InChI Key: | POHADJWEWWWYKS-UHFFFAOYSA-N |