2'-ethyl-1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}dihydro-1'H,5'H-spiro[piperidine-4,6'-pyrrolo[1,2-c]imidazole]-1',3'(2'H)-dione
Chemical Structure Depiction of
2'-ethyl-1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}dihydro-1'H,5'H-spiro[piperidine-4,6'-pyrrolo[1,2-c]imidazole]-1',3'(2'H)-dione
2'-ethyl-1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}dihydro-1'H,5'H-spiro[piperidine-4,6'-pyrrolo[1,2-c]imidazole]-1',3'(2'H)-dione
Compound characteristics
Compound ID: | S661-1208 |
Compound Name: | 2'-ethyl-1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}dihydro-1'H,5'H-spiro[piperidine-4,6'-pyrrolo[1,2-c]imidazole]-1',3'(2'H)-dione |
Molecular Weight: | 412.45 |
Molecular Formula: | C20 H24 N6 O4 |
Smiles: | CCN1C(C2CC3(CCN(CC3)C(c3ccc(Cn4cncn4)o3)=O)CN2C1=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | -0.0322 |
logD: | -0.0322 |
logSw: | -1.1768 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 82.448 |
InChI Key: | ZXRGDWGJKXAKOU-HNNXBMFYSA-N |