6-bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
6-bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | 8014-1144 |
Compound Name: | 6-bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one |
Molecular Weight: | 471.35 |
Molecular Formula: | C23 H23 Br N2 O4 |
Smiles: | Cc1ccc(cc1C)N1CCN(CC1)C(C1=Cc2cc(cc(c2OC1=O)OC)[Br])=O |
Stereo: | ACHIRAL |
logP: | 4.6946 |
logD: | 4.6945 |
logSw: | -4.5633 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 48.383 |
InChI Key: | KUTBHDVNDLOLEW-UHFFFAOYSA-N |