N-benzyl-1-{[(2S)-1-(1-ethyl-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-ethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1210 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(1-ethyl-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: | CCn1ccc(C(N2CC(C[C@H]2Cn2cc(C(NCc3ccccc3)=O)nn2)(F)F)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.3368 |
| logD: | 1.3368 |
| logSw: | -1.8738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.144 |
| InChI Key: | MKRKMOYGHVWJFD-MRXNPFEDSA-N |