1-{[(2S)-4,4-difluoro-1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1414 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 432.43 |
| Molecular Formula: | C20 H22 F2 N6 O3 |
| Smiles: | COCCNC(c1cn(C[C@@H]2CC(CN2C(c2cccc3c2cc[nH]3)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1487 |
| logD: | 1.1487 |
| logSw: | -2.251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.996 |
| InChI Key: | GBAHIZSKHLNLLF-CYBMUJFWSA-N |