N-{[2-(bromomethanesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclohexanecarboxamide
Chemical Structure Depiction of
N-{[2-(bromomethanesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclohexanecarboxamide
N-{[2-(bromomethanesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 0174-0462 |
| Compound Name: | N-{[2-(bromomethanesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclohexanecarboxamide |
| Molecular Weight: | 429.37 |
| Molecular Formula: | C18 H25 Br N2 O3 S |
| Smiles: | C1CCC(CC1)C(NCC1c2ccccc2CCN1S(C[Br])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3295 |
| logD: | 3.3295 |
| logSw: | -3.4242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.696 |
| InChI Key: | IANMIIALWVUZPZ-KRWDZBQOSA-N |