N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-0129 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 411.55 |
| Molecular Formula: | C23 H33 N5 O2 |
| Smiles: | CC(C)Oc1ccc(CN2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(C2CCCC2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6554 |
| logD: | 1.1645 |
| logSw: | -3.0959 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.299 |
| InChI Key: | LKIUYHBUOYHGSF-SFTDATJTSA-N |