3-(9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-sulfonyl)benzonitrile
Chemical Structure Depiction of
3-(9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-sulfonyl)benzonitrile
3-(9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | S022-1206 |
| Compound Name: | 3-(9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-sulfonyl)benzonitrile |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C22 H17 N5 O3 S |
| Smiles: | C1CN(CC2=C1N=C1C=C(c3ccccc3)NN1C2=O)S(c1cccc(C#N)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0812 |
| logD: | 2.081 |
| logSw: | -2.8736 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.913 |
| InChI Key: | NNLQKTIARCUKNH-UHFFFAOYSA-N |