N-[rel-(3R,4S)-1-[(4-ethylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-ethylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-[(4-ethylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1284 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-ethylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C23 H27 N5 O |
| Smiles: | CCc1ccc(CN2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(c2ccccc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0041 |
| logD: | 1.6129 |
| logSw: | -3.2308 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.938 |
| InChI Key: | NBLFUYFUBKKPJN-SFTDATJTSA-N |