7-(5-chlorothiophene-2-carbonyl)-2-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(5-chlorothiophene-2-carbonyl)-2-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
7-(5-chlorothiophene-2-carbonyl)-2-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | S020-2269 |
| Compound Name: | 7-(5-chlorothiophene-2-carbonyl)-2-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 389.83 |
| Molecular Formula: | C18 H13 Cl F N3 O2 S |
| Smiles: | C1CN(CC2=C1C(N=C(c1ccc(cc1)F)N2)=O)C(c1ccc(s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.13 |
| logD: | 0.2457 |
| logSw: | -3.7043 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.27 |
| InChI Key: | PXJLOZNNINFLHT-UHFFFAOYSA-N |