6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methylbenzene-1-sulfonate
6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y041-5388 |
| Compound Name: | 6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 370.42 |
| Molecular Formula: | C20 H18 O5 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc2C3CCCC=3C(=O)Oc2c1C |
| Stereo: | ACHIRAL |
| logP: | 4.1551 |
| logD: | 4.1551 |
| logSw: | -4.3248 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.979 |
| InChI Key: | WYHIXHJWTICXKQ-UHFFFAOYSA-N |