3-benzyl-2-{[(4-chlorophenyl)methyl]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-benzyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-benzyl-2-{[(4-chlorophenyl)methyl]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: | 3473-1043 |
| Compound Name: | 3-benzyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 483.05 |
| Molecular Formula: | C25 H23 Cl N2 O2 S2 |
| Smiles: | CC1(C)Cc2c3C(N(Cc4ccccc4)C(=Nc3sc2CO1)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2586 |
| logD: | 6.2586 |
| logSw: | -6.2147 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.291 |
| InChI Key: | PCVKZQMOMRJUQU-UHFFFAOYSA-N |