2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3'-(phenoxymethyl)-4'H,7'H-spiro[piperidine-4,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3'-(phenoxymethyl)-4'H,7'H-spiro[piperidine-4,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-1-yl]ethan-1-one
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3'-(phenoxymethyl)-4'H,7'H-spiro[piperidine-4,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC40-1045 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3'-(phenoxymethyl)-4'H,7'H-spiro[piperidine-4,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-1-yl]ethan-1-one |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C23 H28 N6 O3 |
| Smiles: | Cc1cc(C)n(CC(N2CCC3(CC2)Cn2c(CO3)c(COc3ccccc3)nn2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.6591 |
| logD: | 0.6591 |
| logSw: | -1.5338 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.438 |
| InChI Key: | PQBUAZXWEVAHKB-UHFFFAOYSA-N |