N-[rel-(3R,4S)-1-[(3-methylthiophen-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(3-methylthiophen-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-[(3-methylthiophen-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-0241 |
| Compound Name: | N-[rel-(3R,4S)-1-[(3-methylthiophen-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C20 H23 N5 O S |
| Smiles: | Cc1ccsc1CN1C[C@H]([C@@H](C1)c1nc(C)n[nH]1)NC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3601 |
| logD: | 1.7966 |
| logSw: | -2.8414 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.957 |
| InChI Key: | VFIVQNJEOXXGQI-IAGOWNOFSA-N |