2-(4-chlorophenoxy)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide
Chemical Structure Depiction of
2-(4-chlorophenoxy)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide
2-(4-chlorophenoxy)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide
Compound characteristics
| Compound ID: | S638-0163 |
| Compound Name: | 2-(4-chlorophenoxy)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide |
| Molecular Weight: | 336.78 |
| Molecular Formula: | C15 H17 Cl N4 O3 |
| Smiles: | C1CC2=NNC(N2CCC1NC(COc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8926 |
| logD: | 1.8862 |
| logSw: | -2.7471 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.349 |
| InChI Key: | NHZYLDFRULQRGH-NSHDSACASA-N |