N-(4-cyanophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
N-(4-cyanophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-3483 |
| Compound Name: | N-(4-cyanophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 281.31 |
| Molecular Formula: | C16 H15 N3 O2 |
| Smiles: | C1CCc2c(C(Nc3ccc(C#N)cc3)=O)noc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9863 |
| logD: | 2.9819 |
| logSw: | -3.5133 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.117 |
| InChI Key: | SACGPEXZDQALJT-UHFFFAOYSA-N |