4-[2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-sulfonyl]benzonitrile
Chemical Structure Depiction of
4-[2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-sulfonyl]benzonitrile
4-[2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | S020-2529 |
| Compound Name: | 4-[2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-sulfonyl]benzonitrile |
| Molecular Weight: | 410.42 |
| Molecular Formula: | C20 H15 F N4 O3 S |
| Smiles: | C1CN(CC2=C1C(N=C(c1ccc(cc1)F)N2)=O)S(c1ccc(C#N)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2651 |
| logD: | -1.546 |
| logSw: | -2.9021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.37 |
| InChI Key: | PJTVHGKCADCAGR-UHFFFAOYSA-N |