1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-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-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1402 |
| Compound Name: | 1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 445.83 |
| Molecular Formula: | C18 H19 Cl F3 N5 O3 |
| Smiles: | COCCNC(c1cn(C[C@@H]2CC(CN2C(c2cc(ccc2F)[Cl])=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9441 |
| logD: | 1.9441 |
| logSw: | -3.2484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.214 |
| InChI Key: | KAICSASDYDVSHC-LBPRGKRZSA-N |