2-(benzylsulfanyl)-3-butyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-butyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-(benzylsulfanyl)-3-butyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3683-0177 |
| Compound Name: | 2-(benzylsulfanyl)-3-butyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 398.59 |
| Molecular Formula: | C22 H26 N2 O S2 |
| Smiles: | CCCCN1C(=Nc2c(C1=O)c1CCCCCc1s2)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9778 |
| logD: | 5.9778 |
| logSw: | -5.3732 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.1749 |
| InChI Key: | HAYNSWROIUQLJG-UHFFFAOYSA-N |