8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-4H-[1]benzopyrano[3,4-d][1,2]oxazole
Chemical Structure Depiction of
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-4H-[1]benzopyrano[3,4-d][1,2]oxazole
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-4H-[1]benzopyrano[3,4-d][1,2]oxazole
Compound characteristics
| Compound ID: | M030-0156 |
| Compound Name: | 8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-4H-[1]benzopyrano[3,4-d][1,2]oxazole |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C22 H21 N3 O6 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)S(c1ccc2c(c1)c1c(CO2)cno1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1932 |
| logD: | 2.098 |
| logSw: | -2.7742 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.788 |
| InChI Key: | KAJSSDTWOQYKKP-UHFFFAOYSA-N |