2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3'-(propan-2-yl)-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-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]ethan-1-one
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3'-(propan-2-yl)-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: | S895-1247 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]ethan-1-one |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C21 H31 N5 O2 |
| Smiles: | CC(C)c1nnc2CCC3(CCN(CC3)C(Cc3c(C)noc3C)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.7274 |
| logD: | 1.7077 |
| logSw: | -1.6239 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.422 |
| InChI Key: | QRWWVVVCABSYBX-UHFFFAOYSA-N |