N-benzyl-1-{[(2S)-4,4-difluoro-1-(1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-4,4-difluoro-1-(1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-4,4-difluoro-1-(1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1171 |
| Compound Name: | N-benzyl-1-{[(2S)-4,4-difluoro-1-(1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C19 H19 F2 N7 O2 |
| Smiles: | C1[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(CC1(F)F)C(c1cc[nH]n1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1599 |
| logD: | 1.1598 |
| logSw: | -1.8134 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.36 |
| InChI Key: | WJMKXBCNGNZWMQ-CQSZACIVSA-N |