N-[rel-(3R,4S)-1-[(2,3-dihydro-1-benzofuran-5-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-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-1118 |
| Compound Name: | N-[rel-(3R,4S)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | Cc1nc([C@@H]2CN(Cc3ccc4c(CCO4)c3)C[C@H]2NC(C2CCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9873 |
| logD: | -0.5189 |
| logSw: | -2.9194 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.734 |
| InChI Key: | QMKQLGKISLOOEV-OALUTQOASA-N |