6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0346 |
| Compound Name: | 6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2-ethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 515.58 |
| Molecular Formula: | C25 H29 N3 O7 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(/C=C/c1ccc(c(c1)OC)OC)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5673 |
| logD: | 2.5669 |
| logSw: | -3.1711 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.942 |
| InChI Key: | BSBTUOJOSYEMNK-HXUWFJFHSA-N |