N-[(3S,5S)-1-[(furan-2-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(furan-2-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-[(furan-2-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
Compound ID: | SB18-0977 |
Compound Name: | N-[(3S,5S)-1-[(furan-2-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
Molecular Weight: | 387.46 |
Molecular Formula: | C18 H21 N5 O3 S |
Smiles: | CS(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(Cc2ccco2)C1)(=O)=O |
Stereo: | ABSOLUTE |
logP: | 2.1212 |
logD: | 2.115 |
logSw: | -2.6614 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.115 |
InChI Key: | PVKWKMPRPRMTLJ-GOEBONIOSA-N |