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]oxane-4-carboxamide
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]oxane-4-carboxamide
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]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-1057 |
| 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]oxane-4-carboxamide |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C23 H33 N5 O3 |
| Smiles: | CC(C)Oc1ccc(CN2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(C2CCOCC2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6436 |
| logD: | 0.1527 |
| logSw: | -2.5973 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.841 |
| InChI Key: | QOKNVXLWWONBIZ-SFTDATJTSA-N |