2-(2,4-dichlorophenoxy)-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-(2,4-dichlorophenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
2-(2,4-dichlorophenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | C066-4145 |
| Compound Name: | 2-(2,4-dichlorophenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide |
| Molecular Weight: | 431.32 |
| Molecular Formula: | C21 H20 Cl2 N4 O2 |
| Smiles: | C1CCc2nnc(c3ccc(cc3)NC(COc3ccc(cc3[Cl])[Cl])=O)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4093 |
| logD: | 4.4089 |
| logSw: | -4.4508 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.726 |
| InChI Key: | JIWDOVVIEBXJKS-UHFFFAOYSA-N |