2-(4-fluorobenzene-1-sulfonyl)-N-(4H-1,2,4-triazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
2-(4-fluorobenzene-1-sulfonyl)-N-(4H-1,2,4-triazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
2-(4-fluorobenzene-1-sulfonyl)-N-(4H-1,2,4-triazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 5503-0183 |
| Compound Name: | 2-(4-fluorobenzene-1-sulfonyl)-N-(4H-1,2,4-triazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C18 H16 F N5 O3 S |
| Smiles: | C1C(C(Nn2cnnc2)=O)N(Cc2ccccc12)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6259 |
| logD: | 1.6259 |
| logSw: | -2.5786 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.036 |
| InChI Key: | QHLLGFWEWUQOBM-KRWDZBQOSA-N |