2-(3-chlorophenyl)-1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
2-(3-chlorophenyl)-1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB29-0142 |
| Compound Name: | 2-(3-chlorophenyl)-1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 334.8 |
| Molecular Formula: | C16 H19 Cl N4 O2 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(Cc2cccc(c2)[Cl])=O)OC)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 2.2977 |
| logD: | 2.2962 |
| logSw: | -3.4212 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.808 |
| InChI Key: | QGILGPUOHUMZCD-KGLIPLIRSA-N |