N-[rel-(3R,4S)-1-[1-(4-methoxyphenyl)cyclopropane-1-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-(4-methoxyphenyl)cyclopropane-1-carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0489 |
| Compound Name: | N-[rel-(3R,4S)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(C1(CC1)c1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4593 |
| logD: | 2.4549 |
| logSw: | -2.8842 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.936 |
| InChI Key: | YITMBPAXDYVFQJ-NHCUHLMSSA-N |