N-benzyl-1-{[(2S)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1211 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C21 H23 F2 N7 O2 |
| Smiles: | Cc1cc(C(N2CC(C[C@H]2Cn2cc(C(NCc3ccccc3)=O)nn2)(F)F)=O)nn1C |
| Stereo: | ABSOLUTE |
| logP: | 1.2199 |
| logD: | 1.2199 |
| logSw: | -2.013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.245 |
| InChI Key: | KAXLXKGTBVSHLY-MRXNPFEDSA-N |