1-{[(2S)-4,4-difluoro-1-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0797 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C20 H25 F2 N5 O3 |
| Smiles: | COCCNC(c1cn(C[C@@H]2CC(CN2C(CCc2ccccc2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6165 |
| logD: | 1.6165 |
| logSw: | -1.9362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.687 |
| InChI Key: | BNTZQWPLYLKLDS-MRXNPFEDSA-N |