2-(benzylsulfanyl)-3-(4-bromophenyl)-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
2-(benzylsulfanyl)-3-(4-bromophenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
2-(benzylsulfanyl)-3-(4-bromophenyl)-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: | 3807-0888 |
| Compound Name: | 2-(benzylsulfanyl)-3-(4-bromophenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 513.47 |
| Molecular Formula: | C24 H21 Br N2 O2 S2 |
| Smiles: | CC1(C)Cc2c3C(N(C(=Nc3sc2CO1)SCc1ccccc1)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0243 |
| logD: | 6.0243 |
| logSw: | -5.5875 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.679 |
| InChI Key: | VIHISZUDCNEHNH-UHFFFAOYSA-N |