1-{[(2S)-1-(2,4-dimethylbenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-(2,4-dimethylbenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-(2,4-dimethylbenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0149 |
| Compound Name: | 1-{[(2S)-1-(2,4-dimethylbenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 377.39 |
| Molecular Formula: | C18 H21 F2 N5 O2 |
| Smiles: | Cc1ccc(C(N2CC(C[C@H]2Cn2cc(C(NC)=O)nn2)(F)F)=O)c(C)c1 |
| Stereo: | ABSOLUTE |
| logP: | 1.8535 |
| logD: | 1.8535 |
| logSw: | -2.6059 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.181 |
| InChI Key: | ZRNOWDORDMLJEA-CYBMUJFWSA-N |