N-benzyl-1-({(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-({(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-({(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0204 |
| Compound Name: | N-benzyl-1-({(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | COc1ccc(CCC(N2CCC[C@H]2Cn2cc(C(NCc3ccccc3)=O)nn2)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.8053 |
| logD: | 2.8053 |
| logSw: | -3.1479 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.842 |
| InChI Key: | PVKSMRBUTKCQGR-NRFANRHFSA-N |