N-benzyl-1-{[(2S)-1-(2-ethylbutanoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(2-ethylbutanoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(2-ethylbutanoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | SB20-0998 |
Compound Name: | N-benzyl-1-{[(2S)-1-(2-ethylbutanoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 383.49 |
Molecular Formula: | C21 H29 N5 O2 |
Smiles: | CCC(CC)C(N1CCC[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)=O |
Stereo: | ABSOLUTE |
logP: | 2.6344 |
logD: | 2.6344 |
logSw: | -2.6054 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.097 |
InChI Key: | GDFDRADLDTZDRB-SFHVURJKSA-N |