N-benzyl-1-({(2S)-1-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-({(2S)-1-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-({(2S)-1-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1055 |
| Compound Name: | N-benzyl-1-({(2S)-1-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C23 H27 N7 O3 |
| Smiles: | CC1=CC(C)=NC(N1CC(N1CCC[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0059 |
| logD: | 1.0058 |
| logSw: | -1.7749 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.763 |
| InChI Key: | CHIYKTZYLGLSRD-IBGZPJMESA-N |