4-(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
4-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-sulfonyl)benzonitrile
4-(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: | S021-1208 |
| Compound Name: | 4-(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(c1ccc(C#N)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1952 |
| logD: | 2.1949 |
| logSw: | -2.7098 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.913 |
| InChI Key: | HXPCKHWSBXMPQN-UHFFFAOYSA-N |