2-{[7-acetyl-3-(4-fluorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[7-acetyl-3-(4-fluorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[7-acetyl-3-(4-fluorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C728-0030 |
| Compound Name: | 2-{[7-acetyl-3-(4-fluorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 474.51 |
| Molecular Formula: | C25 H19 F N4 O3 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(Cc4ccccc4C#N)c3sc2C1)=O)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2358 |
| logD: | 3.2358 |
| logSw: | -3.5943 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.213 |
| InChI Key: | SSDYAMOLSNZOIR-UHFFFAOYSA-N |