6',6'-dimethyl-4-phenyl-2'-[(prop-2-en-1-yl)sulfanyl]-3,4,5',6'-tetrahydro-3'H-spiro[[1]benzopyran-2,4'-pyrimidine]-7,8-diol--hydrogen bromide (1/1)
Chemical Structure Depiction of
6',6'-dimethyl-4-phenyl-2'-[(prop-2-en-1-yl)sulfanyl]-3,4,5',6'-tetrahydro-3'H-spiro[[1]benzopyran-2,4'-pyrimidine]-7,8-diol--hydrogen bromide (1/1)
6',6'-dimethyl-4-phenyl-2'-[(prop-2-en-1-yl)sulfanyl]-3,4,5',6'-tetrahydro-3'H-spiro[[1]benzopyran-2,4'-pyrimidine]-7,8-diol--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8011-1990 |
| Compound Name: | 6',6'-dimethyl-4-phenyl-2'-[(prop-2-en-1-yl)sulfanyl]-3,4,5',6'-tetrahydro-3'H-spiro[[1]benzopyran-2,4'-pyrimidine]-7,8-diol--hydrogen bromide (1/1) |
| Molecular Weight: | 491.45 |
| Molecular Formula: | C23 H26 N2 O3 S |
| Salt: | HBr |
| Smiles: | CC1(C)CC2(CC(c3ccccc3)c3ccc(c(c3O2)O)O)NC(=N1)SCC=C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0772 |
| logD: | 5.0385 |
| logSw: | -4.5536 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.083 |
| InChI Key: | IFGKIGVDILAGBM-UHFFFAOYSA-N |