3-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-sulfonyl)benzonitrile
Chemical Structure Depiction of
3-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-sulfonyl)benzonitrile
3-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | S021-1206 |
| Compound Name: | 3-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-sulfonyl)benzonitrile |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C22 H17 N5 O3 S |
| Smiles: | C1CN(CC2=C1C(N1C(C=C(c3ccccc3)N1)=N2)=O)S(c1cccc(C#N)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1816 |
| logD: | 2.1813 |
| logSw: | -2.8659 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.913 |
| InChI Key: | KSMPWAIIFHNXRK-UHFFFAOYSA-N |