N-benzyl-1-({(2S)-1-[3-(1H-imidazol-1-yl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-({(2S)-1-[3-(1H-imidazol-1-yl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-({(2S)-1-[3-(1H-imidazol-1-yl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1074 |
| Compound Name: | N-benzyl-1-({(2S)-1-[3-(1H-imidazol-1-yl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C21 H25 N7 O2 |
| Smiles: | C1C[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C1)C(CCn1ccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5071 |
| logD: | 0.4202 |
| logSw: | -1.204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.099 |
| InChI Key: | GAHGQECJSQFLOA-SFHVURJKSA-N |