N-(pentafluorophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-(pentafluorophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
N-(pentafluorophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | E851-1381 |
| Compound Name: | N-(pentafluorophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 396.32 |
| Molecular Formula: | C18 H13 F5 N4 O |
| Smiles: | C1CCC2C=Nc3c(cnn3C=2CC1)C(Nc1c(c(c(c(c1F)F)F)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7878 |
| logD: | -2.7919 |
| logSw: | -3.8237 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.428 |
| InChI Key: | ITMHJIPTNLDRDF-UHFFFAOYSA-N |