6-chloro-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'-pyrimidin]-7-ol--hydrogen bromide (1/1)
Chemical Structure Depiction of
6-chloro-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'-pyrimidin]-7-ol--hydrogen bromide (1/1)
6-chloro-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'-pyrimidin]-7-ol--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8015-1538 |
| Compound Name: | 6-chloro-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'-pyrimidin]-7-ol--hydrogen bromide (1/1) |
| Molecular Weight: | 515.92 |
| Molecular Formula: | C21 H23 Cl N2 O2 S2 |
| Salt: | HBr |
| Smiles: | CC1(C)CC2(CC(c3cc(c(cc3O2)O)[Cl])c2cccs2)NC(=N1)SCC=C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5671 |
| logD: | 5.4906 |
| logSw: | -5.5623 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.938 |
| InChI Key: | KXNMAIAKSBGCKU-UHFFFAOYSA-N |