7-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0053 |
| Compound Name: | 7-{4-[(3,4-dimethoxyphenyl)acetyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C23 H27 N3 O7 S |
| Smiles: | Cc1cc2c(cc1S(N1CCN(CC1)C(Cc1ccc(c(c1)OC)OC)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0909 |
| logD: | 1.0904 |
| logSw: | -2.5389 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.409 |
| InChI Key: | RVLVAOHIAOERRP-UHFFFAOYSA-N |