3-(4-bromophenyl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(4-bromophenyl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-(4-bromophenyl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3683-0172 |
| Compound Name: | 3-(4-bromophenyl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 575.93 |
| Molecular Formula: | C25 H20 Br Cl N2 O3 S2 |
| Smiles: | CC1(C)Cc2c3C(N(C(=Nc3sc2CO1)SCC(c1ccc(cc1)[Cl])=O)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4217 |
| logD: | 6.4217 |
| logSw: | -6.4996 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.926 |
| InChI Key: | XQHHOSZTLODSEW-UHFFFAOYSA-N |