N-benzyl-1-{[(2S)-4,4-difluoro-1-(1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-4,4-difluoro-1-(1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-4,4-difluoro-1-(1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1182 |
| Compound Name: | N-benzyl-1-{[(2S)-4,4-difluoro-1-(1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 416.39 |
| Molecular Formula: | C19 H18 F2 N6 O3 |
| Smiles: | C1[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(CC1(F)F)C(c1cocn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1101 |
| logD: | 1.1101 |
| logSw: | -1.8534 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.088 |
| InChI Key: | VNQWJMNEVXTTSE-CQSZACIVSA-N |