1-{[(2S,4S)-1-(3,5-dimethoxybenzoyl)-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-dimethoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(3,5-dimethoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1599 |
| Compound Name: | 1-{[(2S,4S)-1-(3,5-dimethoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 435.45 |
| Molecular Formula: | C20 H26 F N5 O5 |
| Smiles: | COCCNC(c1cn(C[C@@H]2C[C@@H](CN2C(c2cc(cc(c2)OC)OC)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9489 |
| logD: | 0.9489 |
| logSw: | -1.831 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.302 |
| InChI Key: | ZROPMHHQTDOVPF-LSDHHAIUSA-N |