3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-1-benzopyran-4-one
3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 6737-1164 |
| Compound Name: | 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-1-benzopyran-4-one |
| Molecular Weight: | 443.34 |
| Molecular Formula: | C22 H23 Br N2 O3 |
| Smiles: | CC1=C(C(c2ccc(c(CN3CCN(C)CC3)c2O1)O)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7333 |
| logD: | 2.9344 |
| logSw: | -3.7285 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.767 |
| InChI Key: | XRIOEGQCFIVNOW-UHFFFAOYSA-N |