N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0905 |
| Compound Name: | N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C17 H18 N6 O S |
| Smiles: | CN1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(c1cscn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6954 |
| logD: | 0.0884 |
| logSw: | -2.5435 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.618 |
| InChI Key: | HOPUTJXVQWXPIB-STQMWFEESA-N |