4-({3-[(2-chlorophenyl)methyl]-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl}methyl)benzonitrile
Chemical Structure Depiction of
4-({3-[(2-chlorophenyl)methyl]-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl}methyl)benzonitrile
4-({3-[(2-chlorophenyl)methyl]-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | C733-0163 |
| Compound Name: | 4-({3-[(2-chlorophenyl)methyl]-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl}methyl)benzonitrile |
| Molecular Weight: | 402.84 |
| Molecular Formula: | C22 H15 Cl N4 O2 |
| Smiles: | C(c1ccc(C#N)cc1)N1C(N(Cc2ccccc2[Cl])C(c2cccnc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1827 |
| logD: | 4.1827 |
| logSw: | -4.5133 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.654 |
| InChI Key: | UFGOJWSFEQBMBG-UHFFFAOYSA-N |