N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}benzamide
N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | SB18-1065 |
| Compound Name: | N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}benzamide |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C21 H27 N7 O |
| Smiles: | Cc1c(CN2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(c2ccccc2)=O)c(C)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.9037 |
| logD: | -0.5741 |
| logSw: | -1.8097 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.314 |
| InChI Key: | BGXXFRWFLNILIM-PKOBYXMFSA-N |