N-{[1-(1,3-dimethyl-1H-pyrazole-5-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-(1,3-dimethyl-1H-pyrazole-5-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-(1,3-dimethyl-1H-pyrazole-5-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: | SD08-0033 |
| Compound Name: | N-{[1-(1,3-dimethyl-1H-pyrazole-5-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: | Cc1cc(C(N2CCCC3(C2)Cn2c(CO3)c(CNC(c3ccccc3)=O)nn2)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2527 |
| logD: | 0.2527 |
| logSw: | -1.9798 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.4 |
| InChI Key: | HMCNEVKJUHVYBL-HSZRJFAPSA-N |