3-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4159-0114 |
| Compound Name: | 3-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 412.57 |
| Molecular Formula: | C22 H24 N2 O2 S2 |
| Smiles: | CCCCN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1795 |
| logD: | 5.1795 |
| logSw: | -5.0011 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.091 |
| InChI Key: | TWCBFEGAWJJNSP-UHFFFAOYSA-N |