9-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-(4-methoxyphenyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
9-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-(4-methoxyphenyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
9-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-(4-methoxyphenyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | 3966-1002 |
| Compound Name: | 9-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-(4-methoxyphenyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 545.08 |
| Molecular Formula: | C29 H21 Cl N2 O3 S2 |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCc3ccccc3c1s2)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.7234 |
| logD: | 6.723 |
| logSw: | -6.3813 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.502 |
| InChI Key: | HWUVFYZYIHISRJ-UHFFFAOYSA-N |