N-benzyl-1-{[(2S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1036 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C19 H20 N6 O2 S |
| Smiles: | C1C[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C1)C(c1cscn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4549 |
| logD: | 1.4548 |
| logSw: | -2.0814 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.454 |
| InChI Key: | KYKJJSNPGZNUOE-HNNXBMFYSA-N |