6-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0053 |
| Compound Name: | 6-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C22 H25 N3 O7 S |
| Smiles: | COc1ccc(CC(N2CCN(CC2)S(c2ccc3c(c2)NC(CO3)=O)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.9055 |
| logD: | 0.9053 |
| logSw: | -2.5812 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.409 |
| InChI Key: | NDWZOWWXZBKCEN-UHFFFAOYSA-N |