N-[rel-(3R,4S)-1-(1-ethyl-1H-pyrazole-5-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-5-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0452 |
| Compound Name: | N-[rel-(3R,4S)-1-(1-ethyl-1H-pyrazole-5-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: | CCn1c(ccn1)C(N1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8174 |
| logD: | 0.813 |
| logSw: | -2.0661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.229 |
| InChI Key: | ZQTICTQWSKSOSK-HZPDHXFCSA-N |