pentyl {[3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
pentyl {[3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
pentyl {[3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 5627-0117 |
| Compound Name: | pentyl {[3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 456.63 |
| Molecular Formula: | C24 H28 N2 O3 S2 |
| Smiles: | CCCCCOC(CSC1=Nc2c(C(N1c1cccc(C)c1)=O)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1541 |
| logD: | 6.1541 |
| logSw: | -5.0951 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.707 |
| InChI Key: | YWQAADWHVQJICO-UHFFFAOYSA-N |