N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-3-yl}acetamide
Chemical Structure Depiction of
N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-3-yl}acetamide
N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-3-yl}acetamide
Compound characteristics
| Compound ID: | SB18-0502 |
| Compound Name: | N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-3-yl}acetamide |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C23 H29 N7 O2 |
| Smiles: | CC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(CCc1c(C)nn(C)c1C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3753 |
| logD: | 1.3689 |
| logSw: | -1.7579 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.823 |
| InChI Key: | ZCFPKLZOPZGYOH-QUCCMNQESA-N |