3-benzyl-7-tert-butyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-7-tert-butyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-benzyl-7-tert-butyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3807-0914 |
| Compound Name: | 3-benzyl-7-tert-butyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 438.65 |
| Molecular Formula: | C25 H30 N2 O S2 |
| Smiles: | CC(=C)CSC1=Nc2c(C(N1Cc1ccccc1)=O)c1CCC(Cc1s2)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.331 |
| logD: | 7.331 |
| logSw: | -5.6948 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.8655 |
| InChI Key: | YAMQBWHQAPQMQQ-GOSISDBHSA-N |