2-(benzylsulfanyl)-3-(4-methylphenyl)-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-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3473-0222 |
| Compound Name: | 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 432.61 |
| Molecular Formula: | C25 H24 N2 O S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCCCc1s2)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2662 |
| logD: | 6.2662 |
| logSw: | -5.3564 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.3134 |
| InChI Key: | KUIHOHDVAIVMBB-UHFFFAOYSA-N |