1-{[(2S,4S)-1-(3-chloro-4-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(3-chloro-4-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(3-chloro-4-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1566 |
| Compound Name: | 1-{[(2S,4S)-1-(3-chloro-4-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 427.84 |
| Molecular Formula: | C18 H20 Cl F2 N5 O3 |
| Smiles: | COCCNC(c1cn(C[C@@H]2C[C@@H](CN2C(c2ccc(c(c2)[Cl])F)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2051 |
| logD: | 1.2051 |
| logSw: | -2.792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.214 |
| InChI Key: | GUDAJNLEVXHMJA-OLZOCXBDSA-N |