3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]propan-1-one
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S895-0303 |
| Compound Name: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3'-(methoxymethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]propan-1-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C21 H31 N5 O3 |
| Smiles: | Cc1c(CCC(N2CCC3(CCc4nnc(COC)n4CC3)CC2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 0.447 |
| logD: | 0.4467 |
| logSw: | -0.2426 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.822 |
| InChI Key: | XONYYOBVNLZLFL-UHFFFAOYSA-N |