6,8-dibromo-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6,8-dibromo-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2H-1-benzopyran-2-one
6,8-dibromo-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4905-1775 |
| Compound Name: | 6,8-dibromo-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 463.12 |
| Molecular Formula: | C19 H13 Br2 N O3 |
| Smiles: | C1CN(Cc2ccccc12)C(C1=Cc2cc(cc(c2OC1=O)[Br])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6887 |
| logD: | 4.6887 |
| logSw: | -4.7934 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.154 |
| InChI Key: | FUMPBCOFCDQIKE-UHFFFAOYSA-N |