1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(thiophen-3-yl)ethan-1-one
1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB36-0612 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C18 H21 F2 N5 O3 S |
| Smiles: | C(C(N1CC(C[C@H]1Cn1cc(C(N2CCOCC2)=O)nn1)(F)F)=O)c1ccsc1 |
| Stereo: | ABSOLUTE |
| logP: | 0.7991 |
| logD: | 0.7991 |
| logSw: | -1.7869 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.393 |
| InChI Key: | IKEOHZPZIIHWIK-AWEZNQCLSA-N |