6-bromo-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2H-1-benzopyran-2-one
6-bromo-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4905-1774 |
| Compound Name: | 6-bromo-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 384.23 |
| Molecular Formula: | C19 H14 Br N O3 |
| Smiles: | C1CN(Cc2ccccc12)C(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6966 |
| logD: | 3.6966 |
| logSw: | -4.1713 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.47 |
| InChI Key: | ORBZGKLIZHBSPD-UHFFFAOYSA-N |