7-[4-(3,4-difluorobenzoyl)piperazine-1-sulfonyl]-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[4-(3,4-difluorobenzoyl)piperazine-1-sulfonyl]-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
7-[4-(3,4-difluorobenzoyl)piperazine-1-sulfonyl]-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0334 |
| Compound Name: | 7-[4-(3,4-difluorobenzoyl)piperazine-1-sulfonyl]-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 465.47 |
| Molecular Formula: | C21 H21 F2 N3 O5 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCN(CC1)C(c1ccc(c(c1)F)F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0715 |
| logD: | 2.0709 |
| logSw: | -2.8286 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.014 |
| InChI Key: | MKDGWGVKMOSRQJ-CYBMUJFWSA-N |