N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F184-0274 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 526.65 |
| Molecular Formula: | C27 H34 N4 O5 S |
| Smiles: | Cc1cc2c(cc1S(N1CCCC(C1)C(NCCCN1CCc3ccccc3C1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8718 |
| logD: | 0.6678 |
| logSw: | -2.6283 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.052 |
| InChI Key: | JTFKFIGVSAOLJE-QFIPXVFZSA-N |