6-[4-(3,5-dimethoxybenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(3,5-dimethoxybenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
6-[4-(3,5-dimethoxybenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | F537-0198 |
Compound Name: | 6-[4-(3,5-dimethoxybenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
Molecular Weight: | 475.52 |
Molecular Formula: | C22 H25 N3 O7 S |
Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(c1cc(cc(c1)OC)OC)=O)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.7672 |
logD: | 1.767 |
logSw: | -2.6706 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 96.102 |
InChI Key: | QHACBFWYWJKZHV-CQSZACIVSA-N |