7-{4-[4-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{4-[4-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-{4-[4-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0055 |
| Compound Name: | 7-{4-[4-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C22 H26 N4 O5 S |
| Smiles: | Cc1cc2c(cc1S(N1CCN(CC1)C(c1ccc(cc1)N(C)C)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2831 |
| logD: | 1.2825 |
| logSw: | -2.5445 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.48 |
| InChI Key: | VBKYIZBTFQYEJT-UHFFFAOYSA-N |