N-[(3S,5S)-1-{4-[(dimethylamino)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[(3S,5S)-1-{4-[(dimethylamino)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[(3S,5S)-1-{4-[(dimethylamino)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB18-0510 |
| Compound Name: | N-[(3S,5S)-1-{4-[(dimethylamino)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C22 H27 N7 O3 |
| Smiles: | CC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(c1c(CN(C)C)c(C)on1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0721 |
| logD: | -4.2126 |
| logSw: | -1.9304 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.63 |
| InChI Key: | KMVDAEFNTJBHDV-AEFFLSMTSA-N |