5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl)phenyl 2,1,3-benzothiadiazole-4-sulfonate
Chemical Structure Depiction of
5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl)phenyl 2,1,3-benzothiadiazole-4-sulfonate
5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl)phenyl 2,1,3-benzothiadiazole-4-sulfonate
Compound characteristics
| Compound ID: | 8015-1542 |
| Compound Name: | 5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl)phenyl 2,1,3-benzothiadiazole-4-sulfonate |
| Molecular Weight: | 578.71 |
| Molecular Formula: | C30 H30 N2 O6 S2 |
| Smiles: | COc1ccc2c(c1)OC1(CCCC1C21CCCC1)c1ccc(cc1OS(c1cccc2c1nsn2)(=O)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1811 |
| logD: | 6.1811 |
| logSw: | -5.6558 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.07 |
| InChI Key: | MXHFJKUHNJSHSK-UHFFFAOYSA-N |