N-[(3S,5S)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | SB18-1245 |
| Compound Name: | N-[(3S,5S)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 373.46 |
| Molecular Formula: | C18 H27 N7 O2 |
| Smiles: | CCn1ccc(C(N2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(CC(C)C)=O)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.8384 |
| logD: | 0.8377 |
| logSw: | -1.8549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.667 |
| InChI Key: | CNPDAQFZJQSCFE-HIFRSBDPSA-N |