N-(3-cyanophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-(3-cyanophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
Compound characteristics
| Compound ID: | S336-0348 |
| Compound Name: | N-(3-cyanophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C16 H17 N5 O2 |
| Smiles: | C1CCC2=NN(CC(Nc3cccc(C#N)c3)=O)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1046 |
| logD: | 2.1045 |
| logSw: | -2.9952 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.721 |
| InChI Key: | IAKKVMXSMKIPKW-UHFFFAOYSA-N |