1-({(2S)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0172 |
| Compound Name: | 1-({(2S)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 449.85 |
| Molecular Formula: | C19 H18 Cl F2 N7 O2 |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(c2cc(c3ccccc3[Cl])n[nH]2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9245 |
| logD: | 1.9234 |
| logSw: | -3.2329 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.671 |
| InChI Key: | TYMACSCFCPCIHA-NSHDSACASA-N |