N-[rel-(3R,4S)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-0114 |
| Compound Name: | N-[rel-(3R,4S)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C19 H28 N6 O |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cccn3C)C[C@H]2NC(C2CCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3849 |
| logD: | 0.2154 |
| logSw: | -2.4013 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.394 |
| InChI Key: | HFFNMSNJGLVSBE-IRXDYDNUSA-N |