6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0066 |
| Compound Name: | 6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C20 H19 N3 O7 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)OCO2)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.846 |
| logD: | 0.8458 |
| logSw: | -2.4898 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.791 |
| InChI Key: | YYDKWKUXSUTOTG-UHFFFAOYSA-N |