6-chloro-7-[4-(3-methoxybenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[4-(3-methoxybenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[4-(3-methoxybenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0517 |
| Compound Name: | 6-chloro-7-[4-(3-methoxybenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C21 H22 Cl N3 O6 S |
| Smiles: | CC1C(Nc2cc(c(cc2O1)S(N1CCN(CC1)C(c1cccc(c1)OC)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0168 |
| logD: | 1.9475 |
| logSw: | -3.065 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.558 |
| InChI Key: | IRNJVJLYNPHAOU-CYBMUJFWSA-N |