1-({(2S)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0114 |
| Compound Name: | 1-({(2S)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C20 H27 N5 O3 |
| Smiles: | COCCNC(c1cn(C[C@@H]2CCCN2Cc2ccc3c(CCO3)c2)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.276 |
| logD: | 0.7475 |
| logSw: | -2.1442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.769 |
| InChI Key: | VSMUHGPICHBVJC-KRWDZBQOSA-N |