2-methoxy-N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(pyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
2-methoxy-N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(pyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide
2-methoxy-N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(pyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1475 |
| Compound Name: | 2-methoxy-N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(pyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 407.43 |
| Molecular Formula: | C20 H21 N7 O3 |
| Smiles: | COCC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(c1cncnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4014 |
| logD: | -0.4058 |
| logSw: | -1.4942 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.201 |
| InChI Key: | GAPRAYAABQXQRL-HZPDHXFCSA-N |