N-[rel-(3R,4S)-1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
Compound ID: | SB33-1357 |
Compound Name: | N-[rel-(3R,4S)-1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
Molecular Weight: | 407.47 |
Molecular Formula: | C21 H25 N7 O2 |
Smiles: | CCn1cc(C(N2C[C@H]([C@@H](C2)c2nc(c3ccccc3)n[nH]2)NC(C)=O)=O)c(C)n1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.8283 |
logD: | 0.8239 |
logSw: | -2.3957 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.995 |
InChI Key: | ICOCXNMRYWKIRW-QZTJIDSGSA-N |