7-[4-(4-chlorobenzoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[4-(4-chlorobenzoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-[4-(4-chlorobenzoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0078 |
| Compound Name: | 7-[4-(4-chlorobenzoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 449.91 |
| Molecular Formula: | C20 H20 Cl N3 O5 S |
| Smiles: | Cc1cc2c(cc1S(N1CCN(CC1)C(c1ccc(cc1)[Cl])=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7878 |
| logD: | 1.7872 |
| logSw: | -3.0511 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.676 |
| InChI Key: | VSHGBTNMGONDRU-UHFFFAOYSA-N |