1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1266 |
| Compound Name: | 1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 401.77 |
| Molecular Formula: | C16 H15 Cl F3 N5 O2 |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(c2cc(ccc2F)[Cl])=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.759 |
| logD: | 1.759 |
| logSw: | -3.0691 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.181 |
| InChI Key: | KVKZZYOLBJDPBP-JTQLQIEISA-N |