3-methyl-N-{[1-(1,3,5-trimethyl-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}butanamide
Chemical Structure Depiction of
3-methyl-N-{[1-(1,3,5-trimethyl-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}butanamide
3-methyl-N-{[1-(1,3,5-trimethyl-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}butanamide
Compound characteristics
| Compound ID: | SD08-0910 |
| Compound Name: | 3-methyl-N-{[1-(1,3,5-trimethyl-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}butanamide |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C22 H33 N7 O3 |
| Smiles: | CC(C)CC(NCc1c2COC3(CCCN(C3)C(c3c(C)nn(C)c3C)=O)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0366 |
| logD: | -0.0366 |
| logSw: | -1.0386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.975 |
| InChI Key: | NCIGKEUSWYTWEA-JOCHJYFZSA-N |