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 |