N-[(3S,5S)-1-[(4-ethoxyphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(4-ethoxyphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-[(4-ethoxyphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-1037 |
| Compound Name: | N-[(3S,5S)-1-[(4-ethoxyphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C24 H27 N5 O3 |
| Smiles: | CCOc1ccc(CC(N2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(c2ccccc2)=O)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.6146 |
| logD: | 2.6139 |
| logSw: | -2.8617 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.821 |
| InChI Key: | FFJZAIZAPXXUAP-PZJWPPBQSA-N |