2-[(4-chlorophenyl)methylidene]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
2-[(4-chlorophenyl)methylidene]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
2-[(4-chlorophenyl)methylidene]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | F389-0165 |
| Compound Name: | 2-[(4-chlorophenyl)methylidene]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 487.99 |
| Molecular Formula: | C28 H26 Cl N3 O3 |
| Smiles: | C(CNC(c1ccc2c(c1)NC(/C(=C/c1ccc(cc1)[Cl])O2)=O)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.8592 |
| logD: | 3.7093 |
| logSw: | -5.2957 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.707 |
| InChI Key: | ITGJPHGBIPGYQA-UHFFFAOYSA-N |