N-[(3S,5S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-1070 |
| Compound Name: | N-[(3S,5S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 393.45 |
| Molecular Formula: | C20 H23 N7 O2 |
| Smiles: | Cc1c(cn(C)n1)C(N1C[C@H](C[C@H]1c1nc(C)n[nH]1)NC(c1ccccc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5296 |
| logD: | 0.5289 |
| logSw: | -2.0089 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.386 |
| InChI Key: | SNNCEJJEWFQOHC-DOTOQJQBSA-N |