2-cyclopentyl-1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-cyclopentyl-1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one
2-cyclopentyl-1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB20-0813 |
| Compound Name: | 2-cyclopentyl-1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C24 H31 N5 O2 |
| Smiles: | C1CCC(C1)CC(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.9066 |
| logD: | 2.9066 |
| logSw: | -3.0604 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.753 |
| InChI Key: | YRCMOVIGGCRTMH-NRFANRHFSA-N |