6-{4-[3-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[3-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-{4-[3-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0054 |
| Compound Name: | 6-{4-[3-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | CN(C)c1cccc(c1)C(N1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2412 |
| logD: | 1.241 |
| logSw: | -2.6099 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.48 |
| InChI Key: | QGGNUMSBKCZETM-UHFFFAOYSA-N |