N-{[1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4'H,7'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-methylbutanamide
Chemical Structure Depiction of
N-{[1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4'H,7'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-methylbutanamide
N-{[1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4'H,7'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-methylbutanamide
Compound characteristics
| Compound ID: | SD08-0913 |
| Compound Name: | N-{[1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4'H,7'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-methylbutanamide |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C22 H33 N7 O3 |
| Smiles: | CCn1c(C)c(cn1)C(N1CCCC2(C1)Cn1c(CO2)c(CNC(CC(C)C)=O)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.635 |
| logD: | 0.635 |
| logSw: | -1.5867 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.061 |
| InChI Key: | RUMHEJWRCOEXCF-JOCHJYFZSA-N |