N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(pyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(pyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(pyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0477 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(pyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C19 H19 N7 O2 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(c1ccncn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3649 |
| logD: | 0.3606 |
| logSw: | -1.6436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.33 |
| InChI Key: | DTZPJHYSXXQXHG-GDBMZVCRSA-N |