N-[rel-(3R,4S)-1-[(4-bromo-2-fluorophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-bromo-2-fluorophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-[(4-bromo-2-fluorophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-1094 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-bromo-2-fluorophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 450.35 |
| Molecular Formula: | C20 H25 Br F N5 O |
| Smiles: | Cc1nc([C@@H]2CN(Cc3ccc(cc3F)[Br])C[C@H]2NC(C2CCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0874 |
| logD: | 2.1557 |
| logSw: | -3.259 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.496 |
| InChI Key: | ZOMDXLVZDLYZLA-SJLPKXTDSA-N |