2-(heptylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-(heptylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
2-(heptylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3807-1171 |
| Compound Name: | 2-(heptylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 456.67 |
| Molecular Formula: | C25 H32 N2 O2 S2 |
| Smiles: | CCCCCCCSC1=Nc2c(C(N1c1ccc(C)cc1)=O)c1CC(C)(C)OCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 7.6045 |
| logD: | 7.6045 |
| logSw: | -5.7314 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.951 |
| InChI Key: | SDBYDNOVXXVIGI-UHFFFAOYSA-N |