3-{(2S,4S)-1-[(2-chlorophenyl)methyl]-4-methoxypyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-1-[(2-chlorophenyl)methyl]-4-methoxypyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-1-[(2-chlorophenyl)methyl]-4-methoxypyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0134 |
| Compound Name: | 3-{(2S,4S)-1-[(2-chlorophenyl)methyl]-4-methoxypyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 306.79 |
| Molecular Formula: | C15 H19 Cl N4 O |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2Cc2ccccc2[Cl])OC)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 2.3672 |
| logD: | 2.3643 |
| logSw: | -3.1835 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.585 |
| InChI Key: | MZPVJVGTABWXJZ-OCCSQVGLSA-N |