(1-{[(2S,4S)-4-fluoro-1-(pyrimidine-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{[(2S,4S)-4-fluoro-1-(pyrimidine-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S,4S)-4-fluoro-1-(pyrimidine-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB21-1186 |
| Compound Name: | (1-{[(2S,4S)-4-fluoro-1-(pyrimidine-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C17 H20 F N7 O2 |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2C[C@@H](CN2C(c2ccncn2)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.2341 |
| logD: | -0.2341 |
| logSw: | -0.6467 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 80.55 |
| InChI Key: | OTNZYRGXRBUFHQ-QWHCGFSZSA-N |