N-{[1-(1-ethyl-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}benzamide
Chemical Structure Depiction of
N-{[1-(1-ethyl-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}benzamide
N-{[1-(1-ethyl-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}benzamide
Compound characteristics
| Compound ID: | SD08-0031 |
| Compound Name: | N-{[1-(1-ethyl-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}benzamide |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C23 H27 N7 O3 |
| Smiles: | CCn1cc(cn1)C(N1CCCC2(C1)Cn1c(CO2)c(CNC(c2ccccc2)=O)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3189 |
| logD: | 0.3189 |
| logSw: | -1.875 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.579 |
| InChI Key: | VPDVXXYKUTWGAR-HSZRJFAPSA-N |