N-[rel-(3R,4S)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1360 |
| Compound Name: | N-[rel-(3R,4S)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 393.45 |
| Molecular Formula: | C20 H23 N7 O2 |
| Smiles: | CCn1ccc(C(N2C[C@H]([C@@H](C2)c2nc(c3ccccc3)n[nH]2)NC(C)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8135 |
| logD: | 0.8091 |
| logSw: | -2.0448 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.525 |
| InChI Key: | VTZHOLKSSMPQDF-NVXWUHKLSA-N |