1-({(2S)-4,4-difluoro-1-[(thiophen-2-yl)acetyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-4,4-difluoro-1-[(thiophen-2-yl)acetyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-4,4-difluoro-1-[(thiophen-2-yl)acetyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0699 |
| Compound Name: | 1-({(2S)-4,4-difluoro-1-[(thiophen-2-yl)acetyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 413.44 |
| Molecular Formula: | C17 H21 F2 N5 O3 S |
| Smiles: | COCCNC(c1cn(C[C@@H]2CC(CN2C(Cc2cccs2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7342 |
| logD: | 0.7342 |
| logSw: | -2.0436 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.705 |
| InChI Key: | RVICBDXSYSKKIQ-LBPRGKRZSA-N |