6-bromo-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
6-bromo-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8013-3876 |
| Compound Name: | 6-bromo-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 471.35 |
| Molecular Formula: | C23 H23 Br N2 O4 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(C1=Cc2cc(cc(c2OC1=O)OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7759 |
| logD: | 4.7759 |
| logSw: | -4.6721 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.083 |
| InChI Key: | YZZRPTGQMAYITM-UHFFFAOYSA-N |