N-[(4-bromophenyl)methyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-[(4-bromophenyl)methyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 3347-0113 |
| Compound Name: | N-[(4-bromophenyl)methyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 503.39 |
| Molecular Formula: | C23 H20 Br F N2 O3 S |
| Smiles: | C1C(C(NCc2ccc(cc2)[Br])=O)N(Cc2ccccc12)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.793 |
| logD: | 4.7921 |
| logSw: | -4.8063 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.495 |
| InChI Key: | KOZQJSNNRROCTM-QFIPXVFZSA-N |