N-benzyl-1-{[(2S)-4,4-difluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-4,4-difluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-4,4-difluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0818 |
| Compound Name: | N-benzyl-1-{[(2S)-4,4-difluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 431.46 |
| Molecular Formula: | C20 H19 F2 N5 O2 S |
| Smiles: | C1[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(CC1(F)F)C(c1ccsc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4221 |
| logD: | 2.4221 |
| logSw: | -2.6402 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.777 |
| InChI Key: | PWULXWMMQHNLQH-INIZCTEOSA-N |