N-[rel-(3R,4S)-1-(5-chloro-2-fluorobenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(5-chloro-2-fluorobenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-(5-chloro-2-fluorobenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1215 |
| Compound Name: | N-[rel-(3R,4S)-1-(5-chloro-2-fluorobenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 427.86 |
| Molecular Formula: | C21 H19 Cl F N5 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(c2ccccc2)=O)C(c2cc(ccc2F)[Cl])=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4504 |
| logD: | 2.4499 |
| logSw: | -3.4968 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.854 |
| InChI Key: | UDCRVRQHSJXFQX-SJLPKXTDSA-N |