3-methyl-N-[(3S,5S)-1-[(3-methylphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide
Chemical Structure Depiction of
3-methyl-N-[(3S,5S)-1-[(3-methylphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide
3-methyl-N-[(3S,5S)-1-[(3-methylphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide
Compound characteristics
| Compound ID: | SB18-0152 |
| Compound Name: | 3-methyl-N-[(3S,5S)-1-[(3-methylphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H29 N5 O2 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(Cc1cccc(C)c1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.9659 |
| logD: | 2.9652 |
| logSw: | -3.2105 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.755 |
| InChI Key: | ISPSEJOBOBVRJN-MSOLQXFVSA-N |