1-{[(2S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1450 |
| Compound Name: | 1-{[(2S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 425.44 |
| Molecular Formula: | C18 H25 F2 N7 O3 |
| Smiles: | CCn1c(C)c(cn1)C(N1CC(C[C@H]1Cn1cc(C(NCCOC)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.2001 |
| logD: | 0.2001 |
| logSw: | -1.3975 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.14 |
| InChI Key: | LQMWTDFMNNUKDH-CYBMUJFWSA-N |