1-{[(2S,4S)-1-(5-chloro-2-methoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(5-chloro-2-methoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(5-chloro-2-methoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1464 |
| Compound Name: | 1-{[(2S,4S)-1-(5-chloro-2-methoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 423.87 |
| Molecular Formula: | C19 H23 Cl F N5 O3 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(c2cc(ccc2OC)[Cl])=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9349 |
| logD: | 1.9349 |
| logSw: | -3.1056 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.635 |
| InChI Key: | IFONGCKVNWFINY-KGLIPLIRSA-N |