(2S,4S)-N-(3,4-dimethoxyphenyl)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S,4S)-N-(3,4-dimethoxyphenyl)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
(2S,4S)-N-(3,4-dimethoxyphenyl)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB21-1173 |
| Compound Name: | (2S,4S)-N-(3,4-dimethoxyphenyl)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C21 H27 F N6 O4 |
| Smiles: | COc1ccc(cc1OC)NC(N1C[C@H](C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1837 |
| logD: | 1.1837 |
| logSw: | -2.0085 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.441 |
| InChI Key: | ZMABKNPYSFBYAB-GOEBONIOSA-N |