N-benzyl-1-{[(2S)-1-(1-methyl-1H-imidazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(1-methyl-1H-imidazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(1-methyl-1H-imidazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0223 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(1-methyl-1H-imidazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 429.5 |
| Molecular Formula: | C19 H23 N7 O3 S |
| Smiles: | Cn1cc(nc1)S(N1CCC[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.4893 |
| logD: | 0.4893 |
| logSw: | -2.2626 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.076 |
| InChI Key: | DUSDEMOFNNGFSX-INIZCTEOSA-N |