N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide
N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB18-0527 |
| Compound Name: | N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C21 H25 N7 O2 |
| Smiles: | CC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(c1c(C)nn(C)c1C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7768 |
| logD: | 0.7705 |
| logSw: | -1.6746 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.35 |
| InChI Key: | WANNJEBSHZXBNK-SJORKVTESA-N |