2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one
2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | L503-0479 |
| Compound Name: | 2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C25 H31 N3 O3 S |
| Smiles: | CC1(C)CN(CC(N2CCCC2)=O)c2ccc(cc12)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1942 |
| logD: | 4.1942 |
| logSw: | -4.2424 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.232 |
| InChI Key: | LCGYDPZWXREPNQ-UHFFFAOYSA-N |