1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-4-phenylbutan-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]-4-phenylbutan-1-one
1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | SB36-0611 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 447.48 |
| Molecular Formula: | C22 H27 F2 N5 O3 |
| Smiles: | C(CC(N1CC(C[C@H]1Cn1cc(C(N2CCOCC2)=O)nn1)(F)F)=O)Cc1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0622 |
| logD: | 2.0622 |
| logSw: | -2.2889 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.375 |
| InChI Key: | WHZCRAMNEOTBCT-GOSISDBHSA-N |