4-(2-fluorophenyl)-7,8-dihydroxy-6',6'-dimethyl-3,4-dihydrospiro[[1]benzopyran-2,4'-[1,3]diazinane]-2'-thione
Chemical Structure Depiction of
4-(2-fluorophenyl)-7,8-dihydroxy-6',6'-dimethyl-3,4-dihydrospiro[[1]benzopyran-2,4'-[1,3]diazinane]-2'-thione
4-(2-fluorophenyl)-7,8-dihydroxy-6',6'-dimethyl-3,4-dihydrospiro[[1]benzopyran-2,4'-[1,3]diazinane]-2'-thione
Compound characteristics
| Compound ID: | 8014-9569 |
| Compound Name: | 4-(2-fluorophenyl)-7,8-dihydroxy-6',6'-dimethyl-3,4-dihydrospiro[[1]benzopyran-2,4'-[1,3]diazinane]-2'-thione |
| Molecular Weight: | 388.46 |
| Molecular Formula: | C20 H21 F N2 O3 S |
| Smiles: | CC1(C)CC2(CC(c3ccccc3F)c3ccc(c(c3O2)O)O)NC(N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2075 |
| logD: | 4.2013 |
| logSw: | -4.0901 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 61.414 |
| InChI Key: | LEGCCBSEPHWKRY-UHFFFAOYSA-N |