N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | Y502-2374 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 444.47 |
| Molecular Formula: | C22 H16 N6 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1cnn3c(ccnc13)c1cccc(c1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.0116 |
| logD: | 1.5698 |
| logSw: | -4.2895 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.844 |
| InChI Key: | FDIQRVSRWKQRED-UHFFFAOYSA-N |