2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3807-1397 |
| Compound Name: | 2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 382.55 |
| Molecular Formula: | C21 H22 N2 O S2 |
| Smiles: | CC(=C)CSC1=Nc2c(C(N1c1ccccc1)=O)c1CCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 5.6747 |
| logD: | 5.6747 |
| logSw: | -5.3765 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.585 |
| InChI Key: | JDXUQJAOLVIPFK-UHFFFAOYSA-N |