6',6'-dimethyl-2'-[(prop-2-en-1-yl)sulfanyl]-4-(thiophen-2-yl)-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-2'-[(prop-2-en-1-yl)sulfanyl]-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[[1]benzopyran-2,4'-pyrimidine]-7,8-diol--hydrogen bromide (1/1)
6',6'-dimethyl-2'-[(prop-2-en-1-yl)sulfanyl]-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[[1]benzopyran-2,4'-pyrimidine]-7,8-diol--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8015-5588 |
| Compound Name: | 6',6'-dimethyl-2'-[(prop-2-en-1-yl)sulfanyl]-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[[1]benzopyran-2,4'-pyrimidine]-7,8-diol--hydrogen bromide (1/1) |
| Molecular Weight: | 497.47 |
| Molecular Formula: | C21 H24 N2 O3 S2 |
| Salt: | HBr |
| Smiles: | CC1(C)CC2(CC(c3ccc(c(c3O2)O)O)c2cccs2)NC(=N1)SCC=C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7384 |
| logD: | 4.6997 |
| logSw: | -4.2638 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.101 |
| InChI Key: | BQGTWXZGCDNFAW-UHFFFAOYSA-N |