(3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone
(3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone
Compound characteristics
| Compound ID: | Y031-8061 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone |
| Molecular Weight: | 327.29 |
| Molecular Formula: | C16 H13 N3 O5 |
| Smiles: | C1CN(Cc2ccccc12)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8701 |
| logD: | 2.8701 |
| logSw: | -3.2692 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.312 |
| InChI Key: | MEYRFAQUTWSIPQ-UHFFFAOYSA-N |