N-{[1-(thiophene-3-carbonyl)-4'H,7'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}oxane-4-carboxamide
Chemical Structure Depiction of
N-{[1-(thiophene-3-carbonyl)-4'H,7'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}oxane-4-carboxamide
N-{[1-(thiophene-3-carbonyl)-4'H,7'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}oxane-4-carboxamide
Compound characteristics
| Compound ID: | SD08-0990 |
| Compound Name: | N-{[1-(thiophene-3-carbonyl)-4'H,7'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}oxane-4-carboxamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C21 H27 N5 O4 S |
| Smiles: | C1CC2(CN(C1)C(c1ccsc1)=O)Cn1c(CO2)c(CNC(C2CCOCC2)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2959 |
| logD: | 0.2959 |
| logSw: | -2.0922 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.197 |
| InChI Key: | BNQLMLXEZTZVGC-OAQYLSRUSA-N |