1-{[(2S,4S)-1-(3-chloro-4-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(3-chloro-4-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(3-chloro-4-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1255 |
| Compound Name: | 1-{[(2S,4S)-1-(3-chloro-4-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 369.76 |
| Molecular Formula: | C15 H14 Cl F2 N5 O2 |
| Smiles: | C1[C@@H](Cn2cc(C(N)=O)nn2)N(C[C@H]1F)C(c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8868 |
| logD: | 0.8868 |
| logSw: | -2.507 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.405 |
| InChI Key: | SYQQFABRVPWPRD-ZJUUUORDSA-N |