N-[rel-(3R,4S)-1-[(4-fluorophenoxy)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-fluorophenoxy)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-[(4-fluorophenoxy)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-0193 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-fluorophenoxy)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C21 H26 F N5 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(C2CCCC2)=O)C(COc2ccc(cc2)F)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.292 |
| logD: | 1.2914 |
| logSw: | -2.2998 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.384 |
| InChI Key: | YTXAEGHLOSIKDK-QZTJIDSGSA-N |