N-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-benzothiophen-5-yl]-N-ethylmethanesulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-benzothiophen-5-yl]-N-ethylmethanesulfonamide
N-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-benzothiophen-5-yl]-N-ethylmethanesulfonamide
Compound characteristics
| Compound ID: | J019-0181 |
| Compound Name: | N-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-benzothiophen-5-yl]-N-ethylmethanesulfonamide |
| Molecular Weight: | 414.54 |
| Molecular Formula: | C21 H22 N2 O3 S2 |
| Smiles: | CCN(c1ccc2c(c1)cc(C(N1CCc3ccccc3C1)=O)s2)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9987 |
| logD: | 3.9987 |
| logSw: | -4.0543 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.61 |
| InChI Key: | RQPNAWQXXULNLL-UHFFFAOYSA-N |