(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-N-(2-methylphenyl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-N-(2-methylphenyl)pyrrolidine-1-carboxamide
(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-N-(2-methylphenyl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB20-1121 |
| Compound Name: | (2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-N-(2-methylphenyl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 444.54 |
| Molecular Formula: | C25 H28 N6 O2 |
| Smiles: | Cc1ccccc1NC(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0468 |
| logD: | 3.0468 |
| logSw: | -2.9808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.845 |
| InChI Key: | WQDPVOXQTBMHMG-NRFANRHFSA-N |