2-(heptylsulfanyl)-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-(heptylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-(heptylsulfanyl)-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: | 3807-0891 |
| Compound Name: | 2-(heptylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 440.67 |
| Molecular Formula: | C25 H32 N2 O S2 |
| Smiles: | CCCCCCCSC1=Nc2c(C(N1c1ccc(C)cc1)=O)c1CCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 8.2568 |
| logD: | 8.2568 |
| logSw: | -5.8771 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.585 |
| InChI Key: | WKLMCIKLHYAYLD-UHFFFAOYSA-N |