2-(4-chlorophenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
Chemical Structure Depiction of
2-(4-chlorophenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
2-(4-chlorophenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | E683-0460 |
| Compound Name: | 2-(4-chlorophenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide |
| Molecular Weight: | 396.88 |
| Molecular Formula: | C21 H21 Cl N4 O2 |
| Smiles: | C1CCc2nnc(c3ccc(cc3)NC(COc3ccc(cc3)[Cl])=O)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.9966 |
| logD: | 3.9962 |
| logSw: | -4.5041 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.639 |
| InChI Key: | YXGBBYHTKQERGI-UHFFFAOYSA-N |