3-benzyl-6,6-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-benzyl-6,6-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-benzyl-6,6-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3807-1190 |
| Compound Name: | 3-benzyl-6,6-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 398.54 |
| Molecular Formula: | C21 H22 N2 O2 S2 |
| Smiles: | CC1(C)Cc2c3C(N(Cc4ccccc4)C(=Nc3sc2CO1)SCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1785 |
| logD: | 5.1785 |
| logSw: | -5.1431 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.563 |
| InChI Key: | JSSOKQMAIDGHNI-UHFFFAOYSA-N |