N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 5069-0100 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 498.57 |
| Molecular Formula: | C26 H27 F N2 O5 S |
| Smiles: | COc1ccc(CCNC(C2Cc3ccccc3CN2S(c2ccc(cc2)F)(=O)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6497 |
| logD: | 3.6497 |
| logSw: | -3.933 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.598 |
| InChI Key: | GSBSVAFFCHXUDV-QHCPKHFHSA-N |