6-[4-(3,4-dimethoxybenzoyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(3,4-dimethoxybenzoyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
6-[4-(3,4-dimethoxybenzoyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0421 |
| Compound Name: | 6-[4-(3,4-dimethoxybenzoyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C23 H27 N3 O7 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(c1ccc(c(c1)OC)OC)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7048 |
| logD: | 1.7044 |
| logSw: | -2.6761 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.469 |
| InChI Key: | WAPSXHVFXBGMFX-GOSISDBHSA-N |