N-benzyl-1-{[(2S)-1-benzylpyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-benzylpyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-benzylpyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0287 |
| Compound Name: | N-benzyl-1-{[(2S)-1-benzylpyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C22 H25 N5 O |
| Smiles: | C1C[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C1)Cc1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.7847 |
| logD: | 2.6366 |
| logSw: | -2.9381 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.075 |
| InChI Key: | KBHMFCJSLTVYSK-FQEVSTJZSA-N |