N-benzyl-1-{[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0216 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 369.47 |
| Molecular Formula: | C20 H27 N5 O2 |
| Smiles: | C1C[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C1)C1CCOCC1 |
| Stereo: | ABSOLUTE |
| logP: | 1.7033 |
| logD: | 0.7773 |
| logSw: | -1.8439 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.371 |
| InChI Key: | MSDHMCNBZHHZOV-SFHVURJKSA-N |