1-{[(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1650 |
| Compound Name: | 1-{[(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 394.4 |
| Molecular Formula: | C17 H23 F N6 O4 |
| Smiles: | Cc1c(C(N2C[C@H](C[C@H]2Cn2cc(C(NCCOC)=O)nn2)F)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | -0.3074 |
| logD: | -0.3074 |
| logSw: | -1.0003 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.253 |
| InChI Key: | JSEXTNFCSUMSHM-QWHCGFSZSA-N |