[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl](1-methyl-1H-pyrrol-2-yl)methanone
Chemical Structure Depiction of
[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl](1-methyl-1H-pyrrol-2-yl)methanone
[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl](1-methyl-1H-pyrrol-2-yl)methanone
Compound characteristics
| Compound ID: | S895-1045 |
| Compound Name: | [3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl](1-methyl-1H-pyrrol-2-yl)methanone |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C20 H29 N5 O2 |
| Smiles: | Cn1cccc1C(N1CCC2(CCc3nnc(CCOC)n3CC2)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2502 |
| logD: | 1.2498 |
| logSw: | -1.59 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.646 |
| InChI Key: | GETXYCPJTYGVKK-UHFFFAOYSA-N |