7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0086 |
| Compound Name: | 7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C22 H24 Cl N3 O5 S |
| Smiles: | Cc1cc2c(cc1S(CCC(N1CCN(CC1)c1cccc(c1)[Cl])=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9711 |
| logD: | 1.9709 |
| logSw: | -3.0242 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.926 |
| InChI Key: | IGDLCBUBSCDXKL-UHFFFAOYSA-N |