1-{[(2S)-1-(4,5-dihydro-1H-benzo[g]indazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-(4,5-dihydro-1H-benzo[g]indazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-(4,5-dihydro-1H-benzo[g]indazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1327 |
| Compound Name: | 1-{[(2S)-1-(4,5-dihydro-1H-benzo[g]indazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 441.44 |
| Molecular Formula: | C21 H21 F2 N7 O2 |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(c2c3CCc4ccccc4c3[nH]n2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6981 |
| logD: | 1.6979 |
| logSw: | -2.5268 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.223 |
| InChI Key: | SJHWUPHABCHQCZ-CYBMUJFWSA-N |