7-benzyl-6-methyl-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexane]-8-thione
Chemical Structure Depiction of
7-benzyl-6-methyl-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexane]-8-thione
7-benzyl-6-methyl-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexane]-8-thione
Compound characteristics
| Compound ID: | Y040-6903 |
| Compound Name: | 7-benzyl-6-methyl-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexane]-8-thione |
| Molecular Weight: | 390.54 |
| Molecular Formula: | C25 H26 O2 S |
| Smiles: | CC1=C(Cc2ccccc2)C(Oc2cc3c(CCC4(CCCCC4)O3)cc12)=S |
| Stereo: | ACHIRAL |
| logP: | 6.9596 |
| logD: | 6.9596 |
| logSw: | -5.8689 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 13.5126 |
| InChI Key: | XMLXNHPOTPHAOO-UHFFFAOYSA-N |