N-benzyl-1-{[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0217 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C21 H27 N5 O3 |
| Smiles: | C1C[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C1)C(C1CCOCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3604 |
| logD: | 1.3603 |
| logSw: | -1.6136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.926 |
| InChI Key: | NLZWZCKAZZPKMW-SFHVURJKSA-N |