3-methyl-N-{[1-(1-methyl-1H-pyrrole-2-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-methyl-1H-pyrrole-2-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-methyl-1H-pyrrole-2-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: | SD08-0883 |
| Compound Name: | 3-methyl-N-{[1-(1-methyl-1H-pyrrole-2-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: | 414.51 |
| Molecular Formula: | C21 H30 N6 O3 |
| Smiles: | CC(C)CC(NCc1c2COC3(CCCN(C3)C(c3cccn3C)=O)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5069 |
| logD: | 1.5069 |
| logSw: | -2.2089 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.552 |
| InChI Key: | XKKIDCVQSUXWJS-OAQYLSRUSA-N |