N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-0209 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C24 H27 N5 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(c2ccccc2)=O)C(CCCc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7354 |
| logD: | 2.735 |
| logSw: | -3.2689 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.326 |
| InChI Key: | ODZAIHWGSMDLEM-SFTDATJTSA-N |