3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-1,3-dihydro-2H-benzimidazol-2-one
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | M343-1039 |
| Compound Name: | 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | CC(C)N1C(N(CC(N2CCc3ccccc3C2)=O)c2cc(ccc12)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4888 |
| logD: | 3.4888 |
| logSw: | -3.9226 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.972 |
| InChI Key: | ARPAMXOEMQXGGQ-UHFFFAOYSA-N |