7-acetyl-2-{[(3-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-acetyl-2-{[(3-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-2-{[(3-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C200-3471 |
| Compound Name: | 7-acetyl-2-{[(3-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 495.59 |
| Molecular Formula: | C25 H22 F N3 O3 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCc1cccc(c1)F)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2138 |
| logD: | 4.2138 |
| logSw: | -4.5287 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.655 |
| InChI Key: | FFNWRTGFKZUDBA-UHFFFAOYSA-N |