7-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0170 |
| Compound Name: | 7-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C23 H27 N3 O6 S |
| Smiles: | Cc1cc2c(cc1S(CCC(N1CCN(CC1)c1ccc(cc1)OC)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4915 |
| logD: | 1.4909 |
| logSw: | -2.5633 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.47 |
| InChI Key: | IUOCMFORWZHBET-UHFFFAOYSA-N |