N-benzyl-1-{[(2S)-1-(cyclohexylacetyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(cyclohexylacetyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(cyclohexylacetyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0866 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(cyclohexylacetyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C23 H29 F2 N5 O2 |
| Smiles: | C1CCC(CC1)CC(N1CC(C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5048 |
| logD: | 3.5047 |
| logSw: | -3.5297 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.424 |
| InChI Key: | FHBYRTMASSVIKW-LJQANCHMSA-N |