N-[(3S,5S)-1-(1-methyl-1H-pyrazole-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(1-methyl-1H-pyrazole-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-(1-methyl-1H-pyrazole-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
Compound ID: | SB18-0939 |
Compound Name: | N-[(3S,5S)-1-(1-methyl-1H-pyrazole-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
Molecular Weight: | 415.47 |
Molecular Formula: | C18 H21 N7 O3 S |
Smiles: | Cn1cc(cn1)C(N1C[C@H](C[C@H]1c1nc(c2ccccc2)n[nH]1)NS(C)(=O)=O)=O |
Stereo: | ABSOLUTE |
logP: | 0.7143 |
logD: | 0.7081 |
logSw: | -2.139 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 107.925 |
InChI Key: | HOBBNRUZHOHRAG-LSDHHAIUSA-N |