2-{[(2-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(2-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 8640-0122 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 469.02 |
| Molecular Formula: | C24 H21 Cl N2 O2 S2 |
| Smiles: | CC1(C)Cc2c3C(N(C(=Nc3sc2CO1)SCc1ccccc1[Cl])c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0052 |
| logD: | 6.0052 |
| logSw: | -6.1331 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.679 |
| InChI Key: | NXJSGYFLVNHYTI-UHFFFAOYSA-N |