N-[(3S,5S)-1-(2-ethylbutanoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(2-ethylbutanoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-(2-ethylbutanoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | SB18-0145 |
| Compound Name: | N-[(3S,5S)-1-(2-ethylbutanoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 349.48 |
| Molecular Formula: | C18 H31 N5 O2 |
| Smiles: | CCC(CC)C(N1C[C@H](C[C@H]1c1nc(C)n[nH]1)NC(CC(C)C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.491 |
| logD: | 2.4904 |
| logSw: | -2.4109 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.554 |
| InChI Key: | CLKRPTSJOFDFDJ-CABCVRRESA-N |