N-[rel-(3R,4S)-1-[(1H-indol-4-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-[(1H-indol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-[(1H-indol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-0196 |
| Compound Name: | N-[rel-(3R,4S)-1-[(1H-indol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C22 H28 N6 O |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cccc4c3cc[nH]4)C[C@H]2NC(C2CCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2078 |
| logD: | 0.8539 |
| logSw: | -2.9137 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.277 |
| InChI Key: | ODRZGKHFNSMRRK-ICSRJNTNSA-N |