N-[4-(dimethylamino)phenyl]-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-[4-(dimethylamino)phenyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-[4-(dimethylamino)phenyl]-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: | S336-0226 |
| Compound Name: | N-[4-(dimethylamino)phenyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C17 H23 N5 O2 |
| Smiles: | CN(C)c1ccc(cc1)NC(CN1C(N2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3336 |
| logD: | 2.3251 |
| logSw: | -2.8872 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.47 |
| InChI Key: | PDRGHZWXKYCHRF-UHFFFAOYSA-N |