N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E216-5571 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 490.65 |
| Molecular Formula: | C29 H38 N4 O3 |
| Smiles: | CCC1CN(C(N2CCC(CC2)C(NCCCN2CCc3ccccc3C2)=O)=O)c2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8491 |
| logD: | 2.645 |
| logSw: | -3.7845 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.499 |
| InChI Key: | QADGVABRLHXCKK-RUZDIDTESA-N |