1-{[(2S,4S)-1-(3-acetamidobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(3-acetamidobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(3-acetamidobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1065 |
| Compound Name: | 1-{[(2S,4S)-1-(3-acetamidobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C19 H23 F N6 O3 |
| Smiles: | CC(Nc1cccc(c1)C(N1C[C@H](C[C@H]1Cn1cc(C(N(C)C)=O)nn1)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.285 |
| logD: | -0.285 |
| logSw: | -1.8032 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.608 |
| InChI Key: | YVCVVLWKKFWIHV-GOEBONIOSA-N |