N-benzyl-1-{[(2S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1212 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C21 H22 F2 N6 O3 |
| Smiles: | Cc1c(C(N2CC(C[C@H]2Cn2cc(C(NCc3ccccc3)=O)nn2)(F)F)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 1.551 |
| logD: | 1.551 |
| logSw: | -1.9693 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.797 |
| InChI Key: | YRBSUBZCRZREGF-MRXNPFEDSA-N |