6',6'-dimethyl-2'-(methylsulfanyl)-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[[1]benzopyran-2,4'-pyrimidine]-7,8-diol--hydrogen iodide (1/1)
Chemical Structure Depiction of
6',6'-dimethyl-2'-(methylsulfanyl)-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[[1]benzopyran-2,4'-pyrimidine]-7,8-diol--hydrogen iodide (1/1)
6',6'-dimethyl-2'-(methylsulfanyl)-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[[1]benzopyran-2,4'-pyrimidine]-7,8-diol--hydrogen iodide (1/1)
Compound characteristics
| Compound ID: | 8015-1539 |
| Compound Name: | 6',6'-dimethyl-2'-(methylsulfanyl)-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[[1]benzopyran-2,4'-pyrimidine]-7,8-diol--hydrogen iodide (1/1) |
| Molecular Weight: | 518.43 |
| Molecular Formula: | C19 H22 N2 O3 S2 |
| Salt: | HI |
| Smiles: | CC1(C)CC2(CC(c3ccc(c(c3O2)O)O)c2cccs2)NC(=N1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0548 |
| logD: | 3.9332 |
| logSw: | -3.8773 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.101 |
| InChI Key: | MBCPPOKJQJROEC-UHFFFAOYSA-N |