N'-{[1-(3-cyclopentylpropanoyl)-4'H,7'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-dimethylurea
Chemical Structure Depiction of
N'-{[1-(3-cyclopentylpropanoyl)-4'H,7'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-dimethylurea
N'-{[1-(3-cyclopentylpropanoyl)-4'H,7'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-dimethylurea
Compound characteristics
Compound ID: | SD08-0512 |
Compound Name: | N'-{[1-(3-cyclopentylpropanoyl)-4'H,7'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-dimethylurea |
Molecular Weight: | 418.54 |
Molecular Formula: | C21 H34 N6 O3 |
Smiles: | CN(C)C(NCc1c2COC3(CCCN(C3)C(CCC3CCCC3)=O)Cn2nn1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 0.739 |
logD: | 0.739 |
logSw: | -1.3376 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.838 |
InChI Key: | IFDMEBCZDQQSBY-OAQYLSRUSA-N |