1-[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-ethoxyethan-1-one
Chemical Structure Depiction of
1-[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-ethoxyethan-1-one
1-[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-ethoxyethan-1-one
Compound characteristics
Compound ID: | SC55-1029 |
Compound Name: | 1-[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-ethoxyethan-1-one |
Molecular Weight: | 395.5 |
Molecular Formula: | C22 H29 N5 O2 |
Smiles: | CCOCC(N1CC2(CN(CC2c2nc(C3CC3)n[nH]2)Cc2ccccc2)C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.7726 |
logD: | -2.5283 |
logSw: | -2.1008 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.618 |
InChI Key: | WLMLMBFIBLBAMN-GOSISDBHSA-N |