2-methoxy-N-[(3S,5S)-1-(1-methylcyclohexane-1-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
2-methoxy-N-[(3S,5S)-1-(1-methylcyclohexane-1-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
2-methoxy-N-[(3S,5S)-1-(1-methylcyclohexane-1-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB18-0681 |
| Compound Name: | 2-methoxy-N-[(3S,5S)-1-(1-methylcyclohexane-1-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | CC1(CCCCC1)C(N1C[C@H](C[C@H]1c1nc(c2ccccc2)n[nH]1)NC(COC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.8093 |
| logD: | 2.8031 |
| logSw: | -3.2126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.014 |
| InChI Key: | SBLXXYBFTRENDA-MSOLQXFVSA-N |