1-{[(2S,4S)-1-(4-chloro-2-methoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(4-chloro-2-methoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(4-chloro-2-methoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1261 |
| Compound Name: | 1-{[(2S,4S)-1-(4-chloro-2-methoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 381.79 |
| Molecular Formula: | C16 H17 Cl F N5 O3 |
| Smiles: | COc1cc(ccc1C(N1C[C@H](C[C@H]1Cn1cc(C(N)=O)nn1)F)=O)[Cl] |
| Stereo: | ABSOLUTE |
| logP: | 1.3398 |
| logD: | 1.3398 |
| logSw: | -2.6494 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.035 |
| InChI Key: | XTSAIXUVMBSLFJ-MNOVXSKESA-N |