6-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
6-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
6-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0303 |
| Compound Name: | 6-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 431.35 |
| Molecular Formula: | C20 H19 Br N2 O2 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C1=CSc2ccc(cc2C1=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9749 |
| logD: | 4.9747 |
| logSw: | -4.6017 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.0746 |
| InChI Key: | AABQWVLRGATWBM-UHFFFAOYSA-N |