N-[(3S,5S)-1-[(3-methylthiophen-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-[(3-methylthiophen-2-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-[(3-methylthiophen-2-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-0926 |
| Compound Name: | N-[(3S,5S)-1-[(3-methylthiophen-2-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C19 H23 N5 O2 S2 |
| Smiles: | Cc1ccsc1CN1C[C@H](C[C@H]1c1nc(c2ccccc2)n[nH]1)NS(C)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0004 |
| logD: | 2.9942 |
| logSw: | -3.2607 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.384 |
| InChI Key: | YRLGMHLXMCFNAK-JKSUJKDBSA-N |