N-[(3S,5S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-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-5-methyl-1H-pyrazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | SB18-0159 |
| Compound Name: | N-[(3S,5S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C19 H29 N7 O2 |
| Smiles: | CCn1c(C)c(cn1)C(N1C[C@H](C[C@H]1c1nc(C)n[nH]1)NC(CC(C)C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2089 |
| logD: | 1.2082 |
| logSw: | -1.8855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.208 |
| InChI Key: | FDEBOXQJPPHHSU-ZBFHGGJFSA-N |