N-[(3S,5S)-1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-1127 |
| Compound Name: | N-[(3S,5S)-1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 443.53 |
| Molecular Formula: | C20 H25 N7 O3 S |
| Smiles: | Cc1cnn(CCC(N2C[C@H](C[C@H]2c2nc(c3ccccc3)n[nH]2)NS(C)(=O)=O)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 1.3036 |
| logD: | 1.2973 |
| logSw: | -2.1634 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.344 |
| InChI Key: | SGGIWMXNLZTAQZ-DLBZAZTESA-N |