N-benzyl-1-({(2S)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-({(2S)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-({(2S)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | SB20-1058 |
Compound Name: | N-benzyl-1-({(2S)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 449.56 |
Molecular Formula: | C24 H31 N7 O2 |
Smiles: | Cc1c(CCC(N2CCC[C@H]2Cn2cc(C(NCc3ccccc3)=O)nn2)=O)c(C)n(C)n1 |
Stereo: | ABSOLUTE |
logP: | 1.1322 |
logD: | 1.132 |
logSw: | -1.7187 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.137 |
InChI Key: | BEZPRVZBUZFOOS-FQEVSTJZSA-N |