1-({(2S,4S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1332 |
| Compound Name: | 1-({(2S,4S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C18 H19 F N6 O2 S |
| Smiles: | C(Cc1nc2ccccc2s1)C(N1C[C@H](C[C@H]1Cn1cc(C(N)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2535 |
| logD: | 1.2535 |
| logSw: | -1.8781 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.093 |
| InChI Key: | BNDPRKZIWJCSGY-NEPJUHHUSA-N |