N-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-0936 |
| Compound Name: | N-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C19 H24 N6 O3 S |
| Smiles: | Cc1c(CN2C[C@H](C[C@H]2c2nc(c3ccccc3)n[nH]2)NS(C)(=O)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 1.8385 |
| logD: | 1.8321 |
| logSw: | -2.3908 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.404 |
| InChI Key: | HPNSVCNDIRIRMV-DOTOQJQBSA-N |