1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3,3-dimethyl-5-(3-methylpiperidine-1-sulfonyl)-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3,3-dimethyl-5-(3-methylpiperidine-1-sulfonyl)-1,3-dihydro-2H-indol-2-one
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3,3-dimethyl-5-(3-methylpiperidine-1-sulfonyl)-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | F323-1265 |
| Compound Name: | 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3,3-dimethyl-5-(3-methylpiperidine-1-sulfonyl)-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C27 H33 N3 O4 S |
| Smiles: | CC1CCCN(C1)S(c1ccc2c(c1)C(C)(C)C(N2CC(N1CCc2ccccc2C1)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7931 |
| logD: | 3.7931 |
| logSw: | -3.8558 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.406 |
| InChI Key: | YKBAQZUNYGHTPF-IBGZPJMESA-N |