6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0008 |
| Compound Name: | 6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 469.47 |
| Molecular Formula: | C22 H19 N3 O7 S |
| Smiles: | C1CN(CCN1C(C1=Cc2ccccc2OC1=O)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9937 |
| logD: | 0.9935 |
| logSw: | -2.4932 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.597 |
| InChI Key: | LYLRBGYNZBETHX-UHFFFAOYSA-N |