7-tert-butyl-2-(ethylsulfanyl)-3-(2-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-tert-butyl-2-(ethylsulfanyl)-3-(2-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
7-tert-butyl-2-(ethylsulfanyl)-3-(2-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4386-4707 |
| Compound Name: | 7-tert-butyl-2-(ethylsulfanyl)-3-(2-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 412.62 |
| Molecular Formula: | C23 H28 N2 O S2 |
| Smiles: | CCSC1=Nc2c(C(N1c1ccccc1C)=O)c1CCC(Cc1s2)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5954 |
| logD: | 6.5954 |
| logSw: | -5.6878 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.953 |
| InChI Key: | DJQCLCTZZXOHNK-OAHLLOKOSA-N |