[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl](3-methylthiophen-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](3-methylthiophen-2-yl)methanone
[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl](3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S895-0953 |
| Compound Name: | [3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl](3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C20 H28 N4 O2 S |
| Smiles: | Cc1ccsc1C(N1CCC2(CCc3nnc(CCOC)n3CC2)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6944 |
| logD: | 1.694 |
| logSw: | -2.0933 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.248 |
| InChI Key: | VIMCZESPCMDVKJ-UHFFFAOYSA-N |