N-[(3S,5S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-1041 |
| Compound Name: | N-[(3S,5S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C22 H27 N7 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(c2ccccc2)=O)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.6863 |
| logD: | 0.6854 |
| logSw: | -1.9004 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.682 |
| InChI Key: | OTRUFDKSWQFBID-RBUKOAKNSA-N |