2-(4-methyl-3-nitrobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-(4-methyl-3-nitrobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
2-(4-methyl-3-nitrobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | Y031-8514 |
| Compound Name: | 2-(4-methyl-3-nitrobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C16 H16 N2 O4 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8965 |
| logD: | 3.8965 |
| logSw: | -3.9677 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.692 |
| InChI Key: | YRAZZPNCMCWSJL-UHFFFAOYSA-N |