1-{[(2S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1010 |
| Compound Name: | 1-{[(2S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 397.81 |
| Molecular Formula: | C17 H18 Cl F2 N5 O2 |
| Smiles: | CN(C)C(c1cn(C[C@@H]2C[C@@H](CN2C(c2cc(ccc2F)[Cl])=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1407 |
| logD: | 1.1407 |
| logSw: | -2.6839 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.346 |
| InChI Key: | LMLNRXTXNWOCID-NEPJUHHUSA-N |