7-tert-butyl-2-(butylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-tert-butyl-2-(butylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
7-tert-butyl-2-(butylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4159-0071 |
| Compound Name: | 7-tert-butyl-2-(butylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 456.67 |
| Molecular Formula: | C25 H32 N2 O2 S2 |
| Smiles: | CCCCSC1=Nc2c(C(N1c1ccc(cc1)OC)=O)c1CCC(Cc1s2)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2047 |
| logD: | 7.2047 |
| logSw: | -5.7052 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.798 |
| InChI Key: | HHTBIBGURABLIM-MRXNPFEDSA-N |