1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-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-(3,5-dimethyl-1,2-oxazol-4-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-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB36-0659 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one |
| Molecular Weight: | 438.43 |
| Molecular Formula: | C19 H24 F2 N6 O4 |
| Smiles: | Cc1c(CC(N2CC(C[C@H]2Cn2cc(C(N3CCOCC3)=O)nn2)(F)F)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 0.1565 |
| logD: | 0.1565 |
| logSw: | -0.3367 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.413 |
| InChI Key: | IWICVECMRXRXMQ-CQSZACIVSA-N |