1-({(2S)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1375 |
| Compound Name: | 1-({(2S)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 448.49 |
| Molecular Formula: | C20 H22 F2 N6 O2 S |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(CCCc2nc3ccccc3s2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0628 |
| logD: | 2.0628 |
| logSw: | -2.4941 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.869 |
| InChI Key: | SHOWUAKDJXIGKA-ZDUSSCGKSA-N |