(2S)-N-cyclopentyl-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-cyclopentyl-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
(2S)-N-cyclopentyl-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB20-0846 |
| Compound Name: | (2S)-N-cyclopentyl-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | C1CCC(C1)NC(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7616 |
| logD: | 2.7616 |
| logSw: | -2.804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.957 |
| InChI Key: | FEIGZOTYJPFEKH-FQEVSTJZSA-N |