6-[4-(3-bromobenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(3-bromobenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-[4-(3-bromobenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0115 |
| Compound Name: | 6-[4-(3-bromobenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 480.34 |
| Molecular Formula: | C19 H18 Br N3 O5 S |
| Smiles: | C1CN(CCN1C(c1cccc(c1)[Br])=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7725 |
| logD: | 1.7723 |
| logSw: | -2.7215 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.676 |
| InChI Key: | OLEXENBNLWMEFV-UHFFFAOYSA-N |