[3'-(methoxymethyl)-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'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl](3-methylthiophen-2-yl)methanone
[3'-(methoxymethyl)-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: | S895-0247 |
| Compound Name: | [3'-(methoxymethyl)-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: | 374.5 |
| Molecular Formula: | C19 H26 N4 O2 S |
| Smiles: | Cc1ccsc1C(N1CCC2(CCc3nnc(COC)n3CC2)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4527 |
| logD: | 1.4524 |
| logSw: | -2.0264 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.329 |
| InChI Key: | QTBWDKZFNIHECE-UHFFFAOYSA-N |