3-benzyl-6,6-dimethyl-2-sulfanylidene-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-benzyl-6,6-dimethyl-2-sulfanylidene-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-benzyl-6,6-dimethyl-2-sulfanylidene-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4464-0180 |
| Compound Name: | 3-benzyl-6,6-dimethyl-2-sulfanylidene-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C18 H18 N2 O2 S2 |
| Smiles: | CC1(C)Cc2c3C(N(Cc4ccccc4)C(Nc3sc2CO1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0637 |
| logD: | 3.9828 |
| logSw: | -4.3975 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.838 |
| InChI Key: | YXVJROUYSNWFDB-UHFFFAOYSA-N |