(2S)-N-cyclohexyl-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S)-N-cyclohexyl-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
(2S)-N-cyclohexyl-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB20-1082 |
| Compound Name: | (2S)-N-cyclohexyl-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide |
| Molecular Weight: | 436.56 |
| Molecular Formula: | C24 H32 N6 O2 |
| Smiles: | C1CCC(CC1)NC(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2169 |
| logD: | 3.2169 |
| logSw: | -3.0751 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.591 |
| InChI Key: | UKSSYMBNCOGUMV-NRFANRHFSA-N |