N-benzyl-1-{[(2S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)pyrrolidin-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-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0236 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C20 H24 N6 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCC[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0825 |
| logD: | 1.0825 |
| logSw: | -2.2321 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.703 |
| InChI Key: | HBAWYBIHBFYBCN-KRWDZBQOSA-N |