1-{[(2S,4S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1281 |
| Compound Name: | 1-{[(2S,4S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C14 H17 F N6 O2 S |
| Smiles: | Cc1c(C(N2C[C@H](C[C@H]2Cn2cc(C(N)=O)nn2)F)=O)sc(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.2498 |
| logD: | 0.2498 |
| logSw: | -1.1634 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.793 |
| InChI Key: | FKSIYJLTLIFDNQ-ZJUUUORDSA-N |