N-[rel-(3R,4S)-1-(3-chloro-4-fluorobenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(3-chloro-4-fluorobenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(3-chloro-4-fluorobenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1296 |
| Compound Name: | N-[rel-(3R,4S)-1-(3-chloro-4-fluorobenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 427.86 |
| Molecular Formula: | C21 H19 Cl F N5 O2 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3346 |
| logD: | 2.3302 |
| logSw: | -3.4887 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.14 |
| InChI Key: | YITYVXRFBLQCRX-CRAIPNDOSA-N |