N-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
N-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | SB18-0660 |
| Compound Name: | N-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C24 H33 N5 O3 |
| Smiles: | COCC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(CCC1CCCCC1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5056 |
| logD: | 3.4994 |
| logSw: | -3.7796 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.487 |
| InChI Key: | ZJVOUTDNIKUXQZ-UXHICEINSA-N |