3-[(2S,4S)-4-(benzyloxy)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-[(2S,4S)-4-(benzyloxy)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
3-[(2S,4S)-4-(benzyloxy)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0297 |
| Compound Name: | 3-[(2S,4S)-4-(benzyloxy)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 354.49 |
| Molecular Formula: | C21 H30 N4 O |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2CC2CCCCC2)OCc2ccccc2)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 4.0559 |
| logD: | 4.0399 |
| logSw: | -4.1739 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.461 |
| InChI Key: | QIJFHFYYHKWBBB-VQTJNVASSA-N |