(1-benzoxepin-4-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
(1-benzoxepin-4-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
(1-benzoxepin-4-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | D443-0103 |
| Compound Name: | (1-benzoxepin-4-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 303.36 |
| Molecular Formula: | C20 H17 N O2 |
| Smiles: | C1CN(Cc2ccccc12)C(C1C=COc2ccccc2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.199 |
| logD: | 4.199 |
| logSw: | -4.3784 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.1732 |
| InChI Key: | IQNZWVNWDFUYIX-UHFFFAOYSA-N |