N-[(2,5-dimethoxyphenyl)methyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-[(2,5-dimethoxyphenyl)methyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | G791-1082 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C25 H25 F N2 O5 S |
| Smiles: | COc1ccc(c(CNC(C2Cc3ccccc3CN2S(c2ccc(cc2)F)(=O)=O)=O)c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1591 |
| logD: | 4.159 |
| logSw: | -4.284 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.67 |
| InChI Key: | ZFQIPOZLSFCXIE-QHCPKHFHSA-N |