1-({(2S,4S)-1-[(4-ethoxyphenyl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-1-[(4-ethoxyphenyl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-1-[(4-ethoxyphenyl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1066 |
| Compound Name: | 1-({(2S,4S)-1-[(4-ethoxyphenyl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C20 H26 F N5 O3 |
| Smiles: | CCOc1ccc(CC(N2C[C@H](C[C@H]2Cn2cc(C(N(C)C)=O)nn2)F)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 0.7485 |
| logD: | 0.7485 |
| logSw: | -1.4501 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.942 |
| InChI Key: | OUTYGOSMUWNILJ-JKSUJKDBSA-N |