2-(3-chlorophenyl)-1-(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-1-(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)ethan-1-one
2-(3-chlorophenyl)-1-(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S895-0776 |
| Compound Name: | 2-(3-chlorophenyl)-1-(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)ethan-1-one |
| Molecular Weight: | 386.92 |
| Molecular Formula: | C21 H27 Cl N4 O |
| Smiles: | CCc1nnc2CCC3(CCN(CC3)C(Cc3cccc(c3)[Cl])=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.753 |
| logD: | 2.7468 |
| logSw: | -3.2443 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.36 |
| InChI Key: | DFHHIAFYSKBBEM-UHFFFAOYSA-N |