N-benzyl-1-({(2S)-4,4-difluoro-1-[(thiophen-3-yl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-({(2S)-4,4-difluoro-1-[(thiophen-3-yl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-({(2S)-4,4-difluoro-1-[(thiophen-3-yl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0817 |
| Compound Name: | N-benzyl-1-({(2S)-4,4-difluoro-1-[(thiophen-3-yl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H21 F2 N5 O2 S |
| Smiles: | C(C(N1CC(C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(F)F)=O)c1ccsc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.4416 |
| logD: | 2.4416 |
| logSw: | -2.611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.25 |
| InChI Key: | ICFVQRXLLPWZKF-KRWDZBQOSA-N |