N-benzyl-1-{[(2S)-1-(1-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(1-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(1-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1049 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(1-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C21 H24 N6 O2 |
| Smiles: | Cn1cccc1C(N1CCC[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1594 |
| logD: | 2.1593 |
| logSw: | -2.3527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.242 |
| InChI Key: | QJNUAQWVXJBCIY-KRWDZBQOSA-N |